data_1r5e_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 1r5e _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.6 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.801 0.334 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 m -60.58 -39.62 88.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.397 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.02 -28.08 69.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.43 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -77.54 -34.92 53.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.561 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -52.99 -48.96 67.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.106 0.479 . . . . 0.0 109.996 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 pp -78.67 -24.25 45.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.357 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 t -64.61 -35.93 82.58 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.665 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 40' ' ' ARG . 6.1 p -78.57 -31.17 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.412 ' N ' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -75.34 -22.92 57.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.17 179.249 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -79.91 -33.74 39.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.795 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -76.67 -33.56 58.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.441 ' CG ' ' HG3' ' A' ' 109' ' ' MET . 0.0 OUTLIER -72.38 -64.43 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.769 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.11 -36.56 51.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.468 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -56.04 -48.72 75.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.799 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.5 m -80.66 -27.27 37.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.811 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.431 ' HA ' ' CD2' ' A' ' 116' ' ' TRP . . . -72.04 64.59 0.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.488 ' N ' ' CZ3' ' A' ' 116' ' ' TRP . . . 173.56 103.21 0.16 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.532 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.413 ' CD1' ' HB3' ' A' ' 53' ' ' GLN . 3.8 mm? -57.32 141.57 77.44 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 120.535 0.207 . . . . 0.0 110.61 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.42 -82.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.377 2.051 . . . . 0.0 112.717 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.63 -68.57 0.22 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.884 0.373 . . . . 0.0 111.398 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.13 -37.0 52.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.376 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -59.22 -39.9 84.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.991 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -70.12 -45.3 67.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.896 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -53.9 -24.06 14.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.254 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -95.07 -58.9 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.8 p -61.26 -12.97 6.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.7 t -117.45 -34.32 4.33 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.92 -9.77 18.66 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -123.95 -67.24 0.94 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -39.97 151.24 0.24 Allowed Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.155 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.4 160.29 50.01 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.896 2.398 . . . . 0.0 112.547 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -46.98 -40.72 14.97 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.292 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -56.11 -33.16 64.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.002 0.429 . . . . 0.0 110.754 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.87 -29.1 29.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.889 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -77.08 -53.03 8.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.455 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -59.77 -36.21 76.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.088 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -73.22 -25.41 60.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.771 0.32 . . . . 0.0 110.918 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -59.45 -60.01 4.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.761 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.74 -27.91 67.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.172 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -55.92 -66.06 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.118 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.426 ' CD1' ' NE1' ' A' ' 116' ' ' TRP . 4.0 pp -52.87 -34.61 55.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.977 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.415 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 8.0 t80 -74.51 -32.12 62.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.807 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.5 t -53.22 -37.47 62.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.032 0.444 . . . . 0.0 110.547 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.89 -28.94 39.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.749 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 41.1 m -71.43 -38.37 71.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.172 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -67.09 -45.83 76.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.2 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.8 -21.13 62.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.549 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.5 p -79.02 -48.14 14.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.605 0.24 . . . . 0.0 111.299 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.0 mt -55.5 -34.75 64.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.789 0.328 . . . . 0.0 110.994 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -57.58 -34.01 68.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 17.9 mtm -72.59 -31.46 65.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.783 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.13 -61.76 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.0 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.429 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 7.2 t0 -82.22 57.1 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.977 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.18 -49.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -56.33 -22.34 30.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.788 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 21.4 m80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 0.0 111.243 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.413 HD13 ' CE1' ' A' ' 103' ' ' HIS . 1.5 mt . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.614 0.245 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -56.51 -17.43 21.89 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.621 2.214 . . . . 0.0 112.796 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.413 ' CE1' HD13 ' A' ' 101' ' ' LEU . 5.2 p-80 -89.63 -8.85 51.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.459 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -71.35 -33.79 69.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.875 0.369 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -76.61 -46.31 26.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.161 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 103' ' ' HIS . 29.4 m -56.9 -39.61 66.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.264 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -61.45 -57.18 13.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.731 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -62.36 -23.29 66.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.441 ' HG3' ' CG ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -58.1 -66.2 0.52 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.168 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -22.97 37.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.5 m -68.82 -41.08 79.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.117 0.484 . . . . 0.0 110.351 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.428 ' CB ' HD21 ' A' ' 43' ' ' LEU . . . -65.05 -45.86 83.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.624 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.2 -25.97 37.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.623 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 88.4 m -63.13 -37.08 85.78 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -82.86 -41.06 19.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.278 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.488 ' CZ3' ' N ' ' A' ' 48' ' ' GLY . 35.9 m95 -67.19 -48.73 67.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.682 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 98.5 p -54.02 -46.97 71.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.569 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -59.86 -31.86 70.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.56 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.7 ttt -73.77 -36.16 65.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.679 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -51.29 -47.56 62.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -80.8 -33.86 34.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.061 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.99 -59.88 2.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.322 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.6 tp -51.22 -46.39 62.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.221 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.97 -42.65 85.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -70.19 -52.07 26.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.41 -35.91 72.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 34.1 ttm -57.54 -43.81 84.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 141.34 38.52 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.849 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 111.181 179.849 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.9 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.786 0.327 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.58 -32.61 63.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.791 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 m -70.78 -30.96 67.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.763 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -72.83 -44.83 60.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.8 mt -52.78 -46.71 67.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.068 0.461 . . . . 0.0 110.139 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 pp -81.18 -24.5 37.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.728 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.3 t -57.8 -48.76 78.79 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.898 0.38 . . . . 0.0 110.746 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 p -75.87 -29.21 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.302 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.538 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -69.88 -28.1 65.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.868 0.366 . . . . 0.0 110.393 179.672 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -72.85 -39.23 66.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -79.02 -33.47 44.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.252 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.429 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -75.97 -67.13 0.71 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.739 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -44.27 -44.63 8.15 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.782 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -55.94 -51.02 69.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.187 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 t -70.61 -29.04 65.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.05 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.98 72.85 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.186 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.455 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . -169.53 140.12 5.94 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.563 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.429 HD22 ' CE2' ' A' ' 69' ' ' TYR . 3.0 mm? -87.32 136.16 33.78 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 120.553 0.216 . . . . 0.0 110.761 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -65.47 -85.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.26 1.973 . . . . 0.0 112.316 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -148.34 -78.36 0.15 Allowed 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 120.833 0.349 . . . . 0.0 111.354 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.02 -40.4 89.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.641 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -50.57 -27.09 6.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.38 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -84.49 -50.87 7.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 111.065 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -51.19 -24.89 4.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.505 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.83 -53.75 4.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.033 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.7 p -66.03 -9.96 9.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.41 -38.75 2.97 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.38 -9.83 29.06 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -126.36 -63.68 1.08 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.33 149.94 0.29 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.143 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.28 160.28 45.34 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.847 2.365 . . . . 0.0 112.53 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -47.79 -38.78 16.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.212 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.5 m -56.99 -46.24 82.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.764 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.43 -37.63 85.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.622 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -69.72 -32.91 71.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.812 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -57.0 -47.74 80.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -72.16 -27.54 62.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.429 ' CE2' HD22 ' A' ' 49' ' ' LEU . 14.6 t80 -58.91 -54.22 49.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -78.23 -30.93 49.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.077 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -64.2 -53.73 44.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.038 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.415 ' CD1' ' NE1' ' A' ' 116' ' ' TRP . 3.9 pp -58.8 -40.94 85.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.045 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.408 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 6.5 t80 -75.93 -30.79 58.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.006 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 26.2 t -52.51 -37.29 57.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.597 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 55.6 m80 -79.6 -35.64 39.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.601 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 87.7 m -60.92 -33.82 73.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -73.2 -47.11 46.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.472 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.88 -33.96 64.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.524 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.4 p -60.91 -61.24 2.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.334 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.538 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 18.4 mt -53.89 -30.29 45.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.8 0.333 . . . . 0.0 110.951 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -47.97 83.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.787 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 27.7 mtm -64.99 -30.42 71.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.643 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.26 -52.98 22.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.445 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 7.8 t70 -85.96 52.88 2.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.5 tpt -130.22 -45.76 1.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -25.62 6.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.686 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.445 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 7.3 m80 . . . . . 0 C--N 1.33 -0.258 0 CA-C-O 120.951 0.405 . . . . 0.0 110.837 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.448 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 0.9 OUTLIER . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 120.57 0.224 . . . . 0.0 110.693 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 101' ' ' LEU . 19.0 Cg_exo -65.95 -28.99 49.73 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.554 2.169 . . . . 0.0 112.691 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.75 -12.59 47.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.748 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -59.07 -36.27 74.77 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.971 0.415 . . . . 0.0 110.495 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -79.16 -48.94 13.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 28.5 t -47.86 -68.71 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.958 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -55.75 -53.44 56.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.406 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -57.34 -26.06 60.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.429 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.402 ' HE1' ' HB2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -61.75 -55.66 27.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.961 0.41 . . . . 0.0 110.551 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -54.01 -27.42 31.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.554 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -63.94 -37.14 86.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.528 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.73 -47.05 88.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -28.64 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 80.7 m -59.96 -37.4 79.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.956 0.408 . . . . 0.0 110.285 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -87.09 -40.12 14.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.437 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.455 ' CH2' ' N ' ' A' ' 48' ' ' GLY . 37.2 m95 -65.25 -50.08 67.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.529 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.6 t -58.23 -47.21 84.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.439 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.25 -35.01 76.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.513 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.9 ttt -68.91 -37.73 79.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.726 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.92 -43.72 66.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -83.24 -33.95 25.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.46 -59.33 2.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.359 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.6 tp -54.36 -45.48 72.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.162 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -57.39 -47.97 80.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -65.38 -42.24 92.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.22 -35.88 76.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.231 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 21.5 ttm -56.94 -48.97 77.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 156.86 39.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.607 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 120.789 0.328 . . . . 0.0 111.013 179.907 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.84 0.352 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.39 -40.19 24.9 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.797 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.3 p -63.12 -31.37 72.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.412 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -35.36 63.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.88 -49.3 66.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.123 0.487 . . . . 0.0 110.103 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 pp -81.08 -25.04 37.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.595 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.9 t -58.75 -37.65 76.69 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.859 0.361 . . . . 0.0 110.683 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.4 t -81.65 -35.39 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.167 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.517 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -67.54 -25.25 65.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.754 0.311 . . . . 0.0 110.556 179.751 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -78.36 -38.17 42.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.703 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -79.28 -30.28 42.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.251 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.482 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -76.36 -67.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.783 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.408 ' CB ' ' CD1' ' A' ' 80' ' ' LEU . . . -45.16 -43.78 10.25 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.574 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -56.52 -45.04 81.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 m -74.45 -23.38 58.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 48' ' ' GLY . . . -77.75 -167.7 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.076 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 47' ' ' ALA . . . 33.82 99.98 0.01 OUTLIER Glycine 0 CA--C 1.52 0.386 0 CA-C-N 115.725 -0.67 . . . . 0.0 113.963 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.0 mt -50.21 149.81 4.9 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.687 0.279 . . . . 0.0 111.069 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.69 -79.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.583 2.189 . . . . 0.0 112.44 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.18 -69.32 0.23 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.847 0.356 . . . . 0.0 110.97 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -54.07 -39.84 66.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.037 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.06 -28.12 69.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -82.66 -45.04 15.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.48 -25.9 7.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.383 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -85.08 -58.59 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.953 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.7 p -61.38 -12.45 6.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -117.39 -37.76 3.45 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.64 -9.76 21.58 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -123.89 -67.61 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -39.26 150.82 0.22 Allowed Pre-proline 0 N--CA 1.463 0.207 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.154 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.22 160.25 50.58 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.833 2.355 . . . . 0.0 112.5 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.03 -38.98 40.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.143 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.5 m -57.84 -39.35 77.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.83 -35.58 64.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.834 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.05 -33.71 72.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -62.27 -47.18 85.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.98 -27.07 63.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -54.47 -71.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -59.07 -24.18 62.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -63.81 -64.24 0.95 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.154 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.41 ' CD1' ' N ' ' A' ' 73' ' ' TYR . 3.5 pp -55.34 -30.38 60.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.106 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 7.0 t80 -78.6 -33.6 47.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.766 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.96 -44.72 50.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.021 0.439 . . . . 0.0 110.41 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -78.22 -25.71 47.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.53 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.455 ' HA ' HG23 ' A' ' 79' ' ' THR . 44.5 m -73.98 -46.69 42.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -67.52 -25.24 65.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.34 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.28 -33.14 13.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.744 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.455 HG23 ' HA ' ' A' ' 76' ' ' THR . 13.0 t -65.19 -47.05 78.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.752 0.31 . . . . 0.0 110.928 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.517 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 55.5 mt -58.54 -40.03 81.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.67 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.33 -44.28 84.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.474 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.413 ' CB ' ' HB3' ' A' ' 105' ' ' ASN . 0.0 OUTLIER -58.63 -26.68 63.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.697 179.488 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.407 ' O ' ' CE1' ' A' ' 87' ' ' HIS . . . -82.74 -28.71 30.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -90.9 38.66 0.96 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.262 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.3 mtp -130.44 -46.59 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.003 0.43 . . . . 0.0 110.81 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -42.16 -31.21 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.864 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.407 ' CE1' ' O ' ' A' ' 83' ' ' ALA . 2.6 m80 . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.866 0.365 . . . . 0.0 110.682 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.421 HD12 ' CE1' ' A' ' 103' ' ' HIS . 28.9 mt . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 120.75 0.309 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -50.05 -24.68 11.32 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.754 2.303 . . . . 0.0 112.869 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.421 ' CE1' HD12 ' A' ' 101' ' ' LEU . 4.8 p80 -89.18 -8.83 52.85 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -70.78 -33.75 71.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.023 0.439 . . . . 0.0 110.522 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.413 ' HB3' ' CB ' ' A' ' 82' ' ' MET . 9.2 p30 -74.02 -42.14 60.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.183 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 103' ' ' HIS . 11.2 m -65.4 -37.26 79.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.802 0.334 . . . . 0.0 111.207 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.15 -52.58 63.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.807 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.35 -25.27 65.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -63.65 1.1 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.955 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -30.16 10.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.795 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -61.93 -36.44 81.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.479 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.45 -50.72 71.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.804 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.415 ' O ' ' CB ' ' A' ' 117' ' ' SER . 0.3 OUTLIER -57.06 -29.58 31.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 48.8 m -59.95 -39.66 86.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.947 0.404 . . . . 0.0 110.354 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.86 -40.37 14.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.617 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -66.93 -43.59 82.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.758 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 113' ' ' ILE . 68.4 m -61.8 -50.39 72.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.048 0.451 . . . . 0.0 110.042 179.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.89 -33.84 72.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.283 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 4.1 ttt -72.54 -36.06 68.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.608 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -50.86 -43.82 59.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.808 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.06 -41.59 20.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.964 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.54 -58.54 6.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.259 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 tp -52.66 -44.53 66.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -57.16 -47.98 79.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -61.62 -51.69 67.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.038 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.32 88.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.213 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 7.8 ttm -55.39 -46.52 76.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 152.9 43.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.531 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 22.4 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 111.052 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.857 0.36 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -37.83 88.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.612 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.94 -31.43 72.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.743 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -72.95 -37.37 67.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.84 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -52.86 -49.22 66.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.117 0.484 . . . . 0.0 110.151 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 pp -81.13 -23.19 38.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.587 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.5 t -55.58 -46.98 77.18 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.524 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -77.47 -40.49 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.228 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.43 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -60.57 -20.82 61.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.77 0.319 . . . . 0.0 110.25 179.492 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -81.91 -36.59 27.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.273 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.524 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 8.1 pt20 -81.58 -37.39 27.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.741 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.45 ' HB3' HD21 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -71.06 -58.0 3.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.824 -179.839 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.474 ' N ' HD21 ' A' ' 80' ' ' LEU . . . -50.34 -56.01 13.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.552 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -53.17 -50.28 64.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.236 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.4 m -63.21 -27.74 69.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.96 78.72 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.233 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.445 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 171.84 136.18 2.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.595 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.405 HD23 ' CE2' ' A' ' 69' ' ' TYR . 3.1 mm? -88.28 135.28 33.15 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 120.503 0.192 . . . . 0.0 110.683 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -55.93 -77.45 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.251 1.967 . . . . 0.0 112.459 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -148.7 -70.43 0.21 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.836 0.351 . . . . 0.0 111.491 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -36.11 75.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.409 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -52.16 -25.9 10.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.297 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.416 ' CE1' ' CB ' ' A' ' 58' ' ' SER . 31.7 t-80 -90.08 -37.38 14.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.177 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -56.05 -23.35 32.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.527 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -98.78 -57.96 2.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.755 0.312 . . . . 0.0 111.264 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.41 ' HA ' ' CB ' ' A' ' 61' ' ' ALA . 13.3 p -56.3 -16.63 3.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.416 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 51.7 p -117.04 -35.34 4.11 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -179.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.84 -9.83 22.46 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -178.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -127.27 -63.68 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' A' ' 57' ' ' VAL . . . -40.47 150.74 0.27 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.083 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.32 160.27 45.24 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.789 2.326 . . . . 0.0 112.382 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.17 -39.06 12.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.27 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.4 p -56.01 -37.41 69.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.994 0.426 . . . . 0.0 110.619 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.69 -39.22 57.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.532 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -70.35 -32.87 70.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.904 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -61.53 -49.87 74.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -70.18 -26.34 63.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.405 ' CE2' HD23 ' A' ' 49' ' ' LEU . 15.3 t80 -53.41 -53.97 43.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.049 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -79.49 -28.18 41.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.073 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.2 -61.84 2.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.071 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.407 ' CD1' ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -56.32 -42.16 77.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.078 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.407 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 5.9 t80 -69.12 -29.06 67.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.6 t -54.95 -43.88 73.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.927 0.394 . . . . 0.0 110.548 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.94 -27.37 61.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.604 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 65.5 m -71.53 -36.73 71.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -74.27 -24.48 59.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.548 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.85 -26.31 14.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.558 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.7 t -71.95 -48.43 45.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.313 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.474 HD21 ' N ' ' A' ' 44' ' ' ALA . 4.6 mt -56.74 -37.09 70.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.843 0.354 . . . . 0.0 110.748 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -55.85 -47.58 77.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.773 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 77.7 mtm -65.04 -24.05 67.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.838 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.68 -40.49 55.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.289 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -91.43 40.94 1.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.209 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpp -130.5 -40.47 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.402 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.78 -24.24 5.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.935 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.4 m80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.667 0.27 . . . . 0.0 110.361 -179.813 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 CA--C 1.529 0.149 0 CA-C-O 120.608 0.242 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -56.89 -19.17 30.65 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.64 2.227 . . . . 0.0 112.676 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -86.03 -22.7 27.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.179 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -53.27 -53.62 48.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.82 0.343 . . . . 0.0 110.965 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -60.67 -32.19 71.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.713 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.8 t -65.98 -62.02 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -54.71 -35.23 63.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.16 -35.57 64.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.685 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.401 ' CE ' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -60.03 -50.14 74.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.512 179.781 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.1 mtm105 -59.43 -30.84 68.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.482 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -34.77 74.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.639 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.11 -48.35 76.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.81 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -28.71 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.706 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 54.5 m -59.97 -41.46 92.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.358 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -85.68 -41.28 15.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.29 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.445 ' CH2' ' N ' ' A' ' 48' ' ' GLY . 40.8 m95 -62.34 -50.09 73.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.408 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.2 t -57.99 -47.18 83.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.393 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.8 -32.96 71.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.528 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.0 ttt -69.17 -40.26 78.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.665 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -51.59 -41.19 61.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.868 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -82.66 -44.26 15.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.0 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.23 -59.09 4.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.281 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.8 tp -52.78 -45.16 67.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -57.88 -47.6 82.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.997 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -68.49 -40.53 80.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.28 -37.73 80.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 25.3 ttm -54.95 -49.1 72.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 155.25 41.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 21.6 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.343 . . . . 0.0 111.133 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.8 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.816 0.341 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 p -60.01 -38.9 84.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.621 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.34 -26.24 65.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.781 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -78.66 -40.23 34.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.1 mt -52.86 -44.64 66.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.02 0.438 . . . . 0.0 110.158 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 pp -81.31 -29.02 34.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.313 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.9 t -54.76 -48.13 73.0 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.839 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.462 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . 12.1 p -71.42 -38.34 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.533 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -61.73 -25.04 67.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.813 0.339 . . . . 0.0 110.369 179.661 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -74.85 -36.91 62.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.212 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.462 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 4.7 pt20 -81.69 -32.26 31.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.915 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.429 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -75.43 -67.2 0.68 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.591 -179.859 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -47.0 -46.48 21.8 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.513 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -56.43 -61.34 2.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.833 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 m -59.79 -26.49 65.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.422 ' HA ' ' CD2' ' A' ' 116' ' ' TRP . . . -73.28 63.63 0.75 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.227 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.487 ' N ' ' CZ3' ' A' ' 116' ' ' TRP . . . 174.42 112.73 0.3 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.565 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.409 HD11 ' CB ' ' A' ' 53' ' ' GLN . 3.5 mm? -59.91 147.44 79.44 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.56 0.219 . . . . 0.0 110.466 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.57 -83.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.482 2.121 . . . . 0.0 112.557 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.17 -71.14 0.21 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.798 0.332 . . . . 0.0 111.144 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.82 -35.75 45.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.409 ' CB ' HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -61.31 -34.14 74.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.429 ' HA ' ' CG1' ' A' ' 57' ' ' VAL . 25.5 t-80 -75.65 -41.33 54.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.48 -19.45 47.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.417 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -97.56 -38.31 9.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.396 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.429 ' CG1' ' HA ' ' A' ' 54' ' ' HIS . 14.1 p -77.85 -9.6 12.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.2 m -121.68 -40.8 2.52 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -90.77 -9.8 45.22 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -129.43 -62.62 0.97 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.808 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.62 150.48 0.42 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.972 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.74 160.31 48.39 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.796 2.331 . . . . 0.0 112.495 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -46.45 -42.59 15.59 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.265 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.08 -31.6 61.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.796 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.71 -29.59 25.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.862 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -77.1 -50.43 13.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.39 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -61.62 -38.98 89.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.006 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -69.14 -26.88 65.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.81 0.338 . . . . 0.0 110.826 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -58.82 -59.28 5.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.761 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -71.26 -27.62 63.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.2 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.6 -60.99 2.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.09 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.5 pp -57.19 -34.27 68.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.98 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -75.29 -32.6 61.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.877 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.36 -37.95 62.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.52 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -82.16 -24.63 34.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.62 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 52.8 m -72.62 -42.91 63.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -67.64 -41.3 84.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.299 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -20.5 60.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.382 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 p -80.33 -52.36 7.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.663 0.268 . . . . 0.0 111.106 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.533 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 13.4 mt -55.04 -35.54 64.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.87 -24.21 35.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.104 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 68.7 mtm -81.15 -0.76 41.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.422 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.427 ' O ' ' CE1' ' A' ' 87' ' ' HIS . . . -112.96 -25.27 9.07 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.572 0.225 . . . . 0.0 111.558 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -96.22 35.48 1.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.319 . . . . 0.0 111.205 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.5 mtt -130.87 -51.7 1.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.741 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -37.45 -69.76 0.11 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.086 -0.507 . . . . 0.0 112.079 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.427 ' CE1' ' O ' ' A' ' 83' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.098 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.52 0.2 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -60.2 -17.81 48.23 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.418 2.079 . . . . 0.0 112.575 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.401 ' O ' HG22 ' A' ' 106' ' ' VAL . 28.8 p-80 -94.87 -12.94 26.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.542 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.45 -28.18 68.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.904 0.383 . . . . 0.0 110.76 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -79.12 -54.16 6.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.335 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.417 HG21 ' N ' ' A' ' 107' ' ' ASP . 32.8 m -55.21 -45.94 77.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.765 0.316 . . . . 0.0 111.573 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.417 ' N ' HG21 ' A' ' 106' ' ' VAL . 21.5 t0 -61.42 -54.26 45.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.871 0.367 . . . . 0.0 110.716 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -64.75 -22.83 67.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.402 ' CE ' ' HB2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -66.47 -62.17 1.61 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.791 0.329 . . . . 0.0 110.859 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.9 ptp85 -51.8 -26.35 9.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.765 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -66.58 -37.16 84.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.547 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.1 -46.29 91.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.812 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -29.15 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 60.1 m -60.67 -39.2 87.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.212 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.88 -42.2 15.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.481 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.487 ' CZ3' ' N ' ' A' ' 48' ' ' GLY . 46.2 m95 -64.63 -49.55 70.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.569 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.7 t -57.09 -43.91 82.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.539 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -59.3 -35.48 73.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.591 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.6 ttt -71.59 -32.88 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.678 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.8 ttt-85 -55.02 -41.17 70.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.809 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.17 -43.02 15.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.918 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.07 -57.02 9.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.9 tp -55.78 -43.74 77.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -59.87 -45.39 92.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -68.27 -52.31 35.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.13 -32.45 64.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 21.1 ttm -67.06 -31.78 72.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.774 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 125.99 38.93 0.44 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.589 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 5.9 mt . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.814 0.34 . . . . 0.0 111.054 179.953 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.788 0.327 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -54.69 -31.35 57.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 t -71.75 -29.93 65.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.655 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.415 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 60.6 tp60 -71.69 -41.37 68.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.413 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.71 -45.6 85.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.145 0.498 . . . . 0.0 109.897 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.436 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 1.8 pp -81.2 -14.95 57.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.937 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.415 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 3.7 m -68.46 -28.29 66.91 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.831 0.348 . . . . 0.0 110.726 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.461 ' HB ' ' HG2' ' A' ' 109' ' ' MET . 27.1 m -91.37 -38.57 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.275 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.436 ' CG ' ' HA ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -61.88 -27.26 68.68 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.629 -0.429 . . . . 0.0 110.084 179.291 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -81.1 -40.54 23.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.405 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 3.0 pp0? -72.93 -36.59 67.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.514 ' HB2' ' HG3' ' A' ' 109' ' ' MET . 0.0 OUTLIER -69.21 -62.65 1.29 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.625 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.72 -30.99 15.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -59.43 -46.28 89.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.618 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.3 m -86.48 -28.5 23.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.815 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.71 64.03 1.2 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.95 121.52 1.01 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.425 HD23 ' CE2' ' A' ' 69' ' ' TYR . 2.5 mm? -75.18 127.48 86.44 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.573 0.225 . . . . 0.0 110.802 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.33 -87.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.331 2.021 . . . . 0.0 112.304 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.31 -71.34 0.21 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.887 0.375 . . . . 0.0 111.22 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -60.4 -43.61 96.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.339 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.61 -30.16 29.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.203 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.458 ' CE1' ' CB ' ' A' ' 58' ' ' SER . 26.7 t-80 -87.79 -36.56 17.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.902 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -21.9 31.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.308 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.411 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 1.9 t80 -95.2 -57.31 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.776 0.322 . . . . 0.0 110.995 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.0 p -61.11 -12.46 5.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.458 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 5.8 t -118.76 -33.43 4.24 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.062 0.394 . . . . 0.0 112.062 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.9 -9.81 18.65 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -124.23 -66.59 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.753 0.311 . . . . 0.0 111.73 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.71 153.33 0.27 Allowed Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.019 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.26 160.21 49.9 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.769 2.313 . . . . 0.0 112.445 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -52.97 -35.27 58.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.1 m -57.74 -40.88 80.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.779 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.17 -29.91 65.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.815 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -74.77 -32.97 62.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -62.41 -44.96 95.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -73.24 -24.27 60.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.044 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.425 ' CE2' HD23 ' A' ' 49' ' ' LEU . 41.7 t80 -56.63 -57.7 11.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -72.79 -27.32 61.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.207 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.18 -60.32 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.26 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.439 ' HA ' ' CE1' ' A' ' 75' ' ' HIS . 4.3 pp -55.1 -44.43 74.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.194 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.409 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 5.2 t80 -68.9 -24.85 64.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.971 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -50.73 71.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.854 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.439 ' CE1' ' HA ' ' A' ' 72' ' ' LEU . 2.2 p-80 -74.16 -19.93 60.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 88.3 m -72.84 -45.92 55.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.862 0.363 . . . . 0.0 110.798 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -62.4 -42.95 99.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.359 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.67 -30.15 64.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.408 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 p -70.08 -44.28 69.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.748 0.309 . . . . 0.0 110.991 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.7 mt -55.83 -25.38 41.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.89 -52.03 41.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 68.3 mtm -54.93 -26.16 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.96 10.02 25.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.31 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -142.52 47.57 1.57 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.8 0.333 . . . . 0.0 110.663 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.22 -57.74 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.349 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -44.51 -29.14 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.092 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.7 m80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.976 -179.805 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.674 0.273 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.53 -46.71 0.84 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.474 2.116 . . . . 0.0 113.006 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -8.9 58.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.628 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -57.44 -56.44 21.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.88 0.371 . . . . 0.0 110.65 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' A' ' 109' ' ' MET . 7.5 p30 -59.72 -49.71 76.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.816 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.41 ' N ' ' OD1' ' A' ' 105' ' ' ASN . 31.8 t -51.34 -58.96 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.528 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -55.95 -50.98 69.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.132 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.33 -24.36 67.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.514 ' HG3' ' HB2' ' A' ' 43' ' ' LEU . 3.6 tpp -62.46 -58.35 7.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.997 0.427 . . . . 0.0 110.55 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -55.82 -26.9 48.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.529 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 t -60.35 -40.21 89.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.571 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.77 -35.8 81.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.809 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.1 tp -66.82 -32.25 57.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.801 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 14.9 p -58.22 -52.0 67.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.037 0.446 . . . . 0.0 110.144 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -70.68 -49.0 51.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.441 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.4 ' NE1' ' CD1' ' A' ' 72' ' ' LEU . 27.1 m95 -58.34 -57.62 12.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.7 t -52.45 -42.28 64.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.71 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -61.1 -32.48 72.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.536 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.0 ttt -75.2 -37.98 60.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.762 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -50.24 -41.84 50.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.038 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -85.24 -40.23 16.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.42 -57.95 8.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.2 tp -56.87 -45.49 82.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -57.85 -47.18 83.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.989 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -66.7 -42.94 85.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.09 94.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.411 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 7.0 ttm -57.74 -44.79 86.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 151.0 45.88 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.548 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 33.6 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 111.076 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.413 HG23 ' CB ' ' A' ' 35' ' ' GLN . 4.8 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.92 0.39 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -57.92 -38.08 75.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.863 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.4 m -67.05 -31.91 72.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.81 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.413 ' CB ' HG23 ' A' ' 32' ' ' THR . 0.2 OUTLIER -78.8 -34.81 45.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.416 ' HB3' ' CE1' ' A' ' 87' ' ' HIS . 2.3 mm? -52.78 -48.13 67.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.066 0.46 . . . . 0.0 110.146 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.412 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 2.9 pp -79.1 -24.29 43.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.588 179.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.1 t -65.34 -29.77 70.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.428 ' CG1' ' HG2' ' A' ' 109' ' ' MET . 0.9 OUTLIER -82.58 -40.81 17.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.148 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.442 ' CZ ' ' CE1' ' A' ' 41' ' ' HIS . 0.0 OUTLIER -68.68 -20.83 64.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.743 0.306 . . . . 0.0 110.586 179.702 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.442 ' CE1' ' CZ ' ' A' ' 40' ' ' ARG . 35.8 m-70 -81.59 -35.07 30.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 110.837 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -79.97 -34.37 38.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.451 ' HB2' ' HG3' ' A' ' 109' ' ' MET . 0.3 OUTLIER -77.26 -49.24 15.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.038 -179.538 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.09 -49.94 65.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.191 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.34 -49.58 77.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 m -64.35 -28.37 69.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.66 68.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.026 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.419 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 174.45 132.76 1.6 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.438 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 46.1 mt -67.03 149.78 98.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.59 0.233 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -60.8 -77.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.451 2.101 . . . . 0.0 112.548 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.53 -79.06 0.14 Allowed 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -57.38 -31.92 66.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.483 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -50.76 -34.11 25.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.111 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -77.71 -43.04 32.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.055 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.48 -22.06 19.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.415 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.413 ' CE2' HD11 ' A' ' 123' ' ' LEU . 1.0 OUTLIER -94.51 -51.94 4.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 110.978 -179.752 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.0 p -69.38 -9.82 12.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.83 -32.8 3.91 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.38 -9.88 21.78 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -129.85 -62.98 0.93 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.862 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.73 149.93 0.38 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.947 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.0 160.27 40.35 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.749 2.299 . . . . 0.0 112.42 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -30.27 11.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.5 p -61.17 -44.79 96.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.647 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.13 -31.51 71.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.646 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -77.08 -33.92 57.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.674 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -59.62 -45.23 92.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.777 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -71.14 -27.98 63.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -56.27 -46.94 79.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -73.33 -29.5 62.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -57.89 -65.11 0.69 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.409 ' CD1' ' NE1' ' A' ' 116' ' ' TRP . 4.6 pp -53.61 -40.63 65.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.739 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -69.05 -30.18 68.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.766 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.0 p -55.26 -36.37 66.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.036 0.446 . . . . 0.0 110.315 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -24.07 40.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.529 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 62.5 m -76.38 -34.15 58.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -75.46 -30.91 60.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -37.89 19.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.185 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.0 t -61.98 -44.72 96.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.763 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 40' ' ' ARG . 56.9 mt -58.36 -46.84 85.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.705 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.43 -42.8 74.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.675 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 54.8 mtm -68.39 -29.16 67.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.676 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.55 -52.04 43.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.997 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.454 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 1.9 p30 -87.51 47.49 1.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.014 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.3 tpp -130.29 -47.03 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.039 0.447 . . . . 0.0 110.948 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -51.84 -24.63 6.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.786 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.454 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 18.0 m80 . . . . . 0 C--N 1.331 -0.232 0 CA-C-O 120.941 0.4 . . . . 0.0 110.748 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.536 0.208 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -56.11 -19.62 27.61 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.531 2.154 . . . . 0.0 112.75 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.31 -9.01 26.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.698 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.75 -28.27 69.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.934 0.397 . . . . 0.0 110.745 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -79.05 -51.76 9.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.221 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 22.4 m -57.89 -28.31 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.736 0.303 . . . . 0.0 111.156 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -68.43 -57.1 6.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.324 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.87 -19.15 65.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.415 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.451 ' HG3' ' HB2' ' A' ' 43' ' ' LEU . 6.6 tpp -59.8 -66.02 0.58 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.735 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.44 -26.97 55.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.724 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.33 -34.49 72.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.55 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.81 -45.3 68.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.998 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -60.7 -34.64 59.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 23.6 p -58.38 -49.84 75.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.082 0.468 . . . . 0.0 110.014 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -73.34 -46.68 47.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.484 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.419 ' CH2' ' HA2' ' A' ' 48' ' ' GLY . 38.2 m95 -59.94 -54.93 40.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.791 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 54.8 m -52.74 -43.37 65.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.772 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -60.1 -37.86 81.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.595 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.9 ttt -63.33 -36.71 84.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.535 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -55.08 -43.52 74.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.663 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -80.9 -48.16 12.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.014 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.06 -59.46 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.308 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.413 HD11 ' CE2' ' A' ' 56' ' ' PHE . 8.5 tp -53.05 -38.36 62.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -62.96 -47.21 84.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -59.86 -51.56 69.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.73 71.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 13.4 ttm -63.23 -46.68 85.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.716 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 150.72 41.31 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.475 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 22.6 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 111.128 -180.0 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.919 0.39 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -38.79 92.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.577 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.0 m -65.56 -35.06 79.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.493 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -72.18 -38.29 69.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.521 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -52.91 -48.53 67.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.049 0.452 . . . . 0.0 110.141 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.443 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 3.4 pp -81.02 -18.0 48.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.741 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.4 t -73.8 -23.66 59.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.847 0.356 . . . . 0.0 110.598 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.458 ' CG1' ' HG2' ' A' ' 109' ' ' MET . 22.5 t -87.69 -35.46 8.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.407 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -75.29 -30.4 60.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.103 179.175 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -70.93 -37.06 72.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.106 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -77.64 -30.19 52.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.888 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.541 ' HG ' ' HG3' ' A' ' 109' ' ' MET . 0.3 OUTLIER -81.3 -50.63 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 -179.623 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.79 -45.37 70.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.9 0.381 . . . . 0.0 111.157 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -59.55 -47.74 84.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -70.62 -26.33 63.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.94 73.55 1.64 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.072 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.411 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 167.64 142.79 3.57 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.548 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.464 HD12 ' CE2' ' A' ' 69' ' ' TYR . 4.6 mt -75.68 122.98 88.17 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.401 0.143 . . . . 0.0 110.773 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.39 -69.15 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.263 1.975 . . . . 0.0 112.428 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -148.46 -80.71 0.13 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.731 0.3 . . . . 0.0 111.521 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -65.74 -28.37 68.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.547 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -50.06 -31.67 13.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.281 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.451 ' CE1' ' CB ' ' A' ' 58' ' ' SER . 32.7 t-80 -79.04 -51.42 9.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.32 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -45.6 -28.14 0.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.185 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.424 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 5.8 t80 -93.47 -59.25 2.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.341 . . . . 0.0 111.247 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.1 p -58.98 -14.36 4.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.451 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 0.3 OUTLIER -117.9 -28.66 5.87 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.117 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.87 -9.79 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -124.32 -65.24 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' PHE . . . -41.0 149.94 0.32 Allowed Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.101 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.32 160.33 39.22 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.888 2.392 . . . . 0.0 112.378 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -47.84 -28.38 2.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.176 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.405 ' N ' ' HG2' ' A' ' 63' ' ' GLN . 73.7 p -59.31 -47.15 86.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.072 0.463 . . . . 0.0 110.629 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.87 -28.76 55.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.984 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -75.43 -51.66 12.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.562 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -57.84 -33.65 68.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.655 0.264 . . . . 0.0 111.178 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.28 -28.57 61.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.86 0.362 . . . . 0.0 110.725 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.464 ' CE2' HD12 ' A' ' 49' ' ' LEU . 6.4 t80 -55.8 -51.72 66.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.795 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -66.03 -34.18 77.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.985 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -60.63 -62.65 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.021 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.6 pp -56.54 -37.83 71.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -74.18 -29.83 61.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.4 t -53.13 -44.89 68.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.953 0.406 . . . . 0.0 110.657 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -73.24 -37.66 66.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.578 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.41 ' HA ' ' OG1' ' A' ' 79' ' ' THR . 57.8 m -54.42 -37.95 65.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -68.31 -57.41 5.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.218 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.73 -28.46 69.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.222 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.41 ' OG1' ' HA ' ' A' ' 76' ' ' THR . 16.8 p -66.77 -55.91 12.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.369 . . . . 0.0 110.795 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.3 mt -53.47 -32.95 52.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.33 -38.46 89.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 47.1 mtm -69.91 -30.42 67.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.408 ' CB ' ' HB3' ' A' ' 40' ' ' ARG . . . -80.26 -35.46 35.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -92.51 40.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.902 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.2 -41.24 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -44.78 -28.89 0.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.803 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.784 0.326 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.607 0.242 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.86 -8.64 8.05 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.919 2.413 . . . . 0.0 113.929 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.82 -9.05 24.87 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.667 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -64.2 -52.56 58.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.848 0.356 . . . . 0.0 110.734 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -64.01 -33.8 76.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 38.7 t -55.74 -67.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.324 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -52.61 -39.1 61.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.972 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -70.04 -30.91 68.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.541 ' HG3' ' HG ' ' A' ' 43' ' ' LEU . 22.7 tpp -59.77 -58.53 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.15 0.5 . . . . 0.0 110.409 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.417 ' O ' HG23 ' A' ' 113' ' ' ILE . 3.0 mtp180 -55.09 -27.66 46.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.598 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.7 -41.03 80.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.052 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.46 -49.82 61.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.742 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 110' ' ' ARG . 0.5 OUTLIER -62.69 -25.83 39.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.796 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 87.6 m -61.49 -40.5 94.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.029 0.442 . . . . 0.0 110.029 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -85.03 -40.67 16.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.397 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.411 ' CH2' ' N ' ' A' ' 48' ' ' GLY . 43.4 m95 -64.85 -47.26 78.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.586 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.4 m -57.03 -50.33 73.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.341 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -58.19 -29.84 65.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.239 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 12.9 ttm -69.09 -44.18 73.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.433 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -48.99 -39.53 27.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.801 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -82.77 -41.96 18.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.819 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.73 -60.02 3.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.1 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.1 tp -51.32 -45.69 62.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -62.91 -41.4 99.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.803 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -68.9 -48.33 63.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.72 -49.8 76.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.424 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 11.8 ttm -52.56 -34.26 49.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 129.04 46.32 0.18 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.588 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 22.2 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 111.092 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.797 0.332 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -60.9 -42.03 97.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.424 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 t -66.66 -23.78 66.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.486 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -40.13 47.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.615 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.9 -46.07 67.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.109 0.48 . . . . 0.0 109.913 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 pp -81.25 -25.65 36.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.584 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.4 t -59.32 -39.69 83.91 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.989 0.423 . . . . 0.0 110.549 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.6 t -78.16 -34.31 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.906 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.515 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -68.2 -28.43 67.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.422 179.647 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -72.67 -37.86 67.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.667 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -79.63 -30.58 41.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.046 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.444 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -77.79 -67.68 0.7 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.822 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.406 ' CB ' ' CD1' ' A' ' 80' ' ' LEU . . . -45.25 -48.19 12.82 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.794 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -53.85 -57.64 10.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.121 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.9 m -62.72 -27.52 69.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.16 64.72 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.203 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.476 ' N ' ' CZ3' ' A' ' 116' ' ' TRP . . . 179.7 109.6 0.26 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.436 HD21 ' CE2' ' A' ' 69' ' ' TYR . 2.9 mm? -60.35 146.89 83.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.565 0.221 . . . . 0.0 110.585 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -60.99 -82.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.491 2.127 . . . . 0.0 112.388 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -148.25 -67.9 0.23 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.755 0.312 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -58.82 -35.54 73.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.99 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.88 -38.0 74.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.003 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.409 ' HA ' ' CG1' ' A' ' 57' ' ' VAL . 29.6 t-80 -80.26 -33.98 37.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.034 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.53 -18.57 53.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.425 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.4 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 1.2 t80 -98.83 -49.27 4.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.72 0.295 . . . . 0.0 111.113 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.409 ' CG1' ' HA ' ' A' ' 54' ' ' HIS . 14.5 p -65.88 -9.99 9.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.5 p -123.97 -37.81 2.55 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.55 -9.84 39.75 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -130.19 -64.04 0.87 Allowed 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.744 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.96 149.96 0.32 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.05 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.28 160.3 45.31 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.763 2.309 . . . . 0.0 112.512 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.91 -28.59 3.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.22 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.1 m -60.8 -47.25 87.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.694 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.78 -32.34 52.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.606 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -62.59 -53.07 60.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 68' ' ' ARG . 28.1 p30 -60.17 -31.74 70.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.91 0.386 . . . . 0.0 110.203 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.454 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 1.1 ttt180 -66.48 -30.78 71.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.177 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.436 ' CE2' HD21 ' A' ' 49' ' ' LEU . 7.6 t80 -60.05 -57.12 14.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.76 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -74.11 -29.05 61.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.05 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -61.01 -60.98 2.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.417 ' CD1' ' NE1' ' A' ' 116' ' ' TRP . 4.6 pp -58.14 -36.68 73.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.405 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 8.0 t80 -74.79 -31.7 61.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.49 -41.95 63.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.983 0.42 . . . . 0.0 110.508 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -75.26 -31.68 60.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.427 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 52.7 m -64.71 -42.15 95.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.953 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -62.5 -51.81 65.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.382 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -35.07 79.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.64 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.1 p -59.36 -55.76 30.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.704 0.287 . . . . 0.0 111.169 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.515 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 19.6 mt -55.97 -34.67 65.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -57.18 -33.1 67.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.513 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 22.1 mtp -77.73 -27.25 50.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.571 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.409 ' HA ' ' ND2' ' A' ' 105' ' ' ASN . . . -81.86 -38.62 25.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.805 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -92.54 45.65 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.678 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.06 -41.85 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.15 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -48.35 -27.73 2.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.348 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 m80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.78 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.407 ' HB2' ' CE1' ' A' ' 103' ' ' HIS . 47.3 mt . . . . . 0 CA--C 1.531 0.228 0 CA-C-O 120.715 0.293 . . . . 0.0 110.812 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -48.56 -15.02 0.41 Allowed 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.984 2.456 . . . . 0.0 114.081 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.482 ' O ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -92.72 -8.67 43.22 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.5 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -79.61 -46.32 17.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.764 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' A' ' 83' ' ' ALA . 13.0 p30 -62.49 -41.38 98.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 103' ' ' HIS . 11.2 m -59.48 -45.27 93.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.766 0.317 . . . . 0.0 110.933 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -40.8 93.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.532 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -73.92 -26.5 60.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.813 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -58.89 4.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.919 0.39 . . . . 0.0 110.563 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.33 -28.67 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.619 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.1 m -62.66 -37.94 88.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.458 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.7 -42.96 89.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.78 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -27.47 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.735 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 27.7 m -60.98 -42.01 97.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.995 0.426 . . . . 0.0 110.104 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -82.35 -39.84 22.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.485 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.476 ' CZ3' ' N ' ' A' ' 48' ' ' GLY . 29.5 m95 -66.57 -48.86 68.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.767 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.2 t -54.52 -46.3 73.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.527 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -59.31 -34.41 72.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.534 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 1.8 ttt -65.98 -36.96 84.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.611 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -54.59 -48.52 72.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.782 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -83.26 -42.33 17.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.975 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.94 -60.26 3.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.313 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.4 ' HG ' ' CD2' ' A' ' 56' ' ' PHE . 7.3 tp -54.7 -42.63 71.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -60.33 -49.42 77.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 -59.57 -48.6 81.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.28 75.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 12.5 ttm -60.06 -34.07 72.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 134.26 41.88 0.15 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.546 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 24.1 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.342 . . . . 0.0 111.1 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.863 0.363 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.85 -35.92 64.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.815 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.72 -26.63 64.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.478 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.53 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 2.3 tp-100 -72.13 -46.06 58.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.743 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.416 ' HB2' ' NE2' ' A' ' 87' ' ' HIS . 3.8 mm? -52.87 -46.41 67.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.195 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 pp -81.39 -24.9 36.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.979 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.53 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 0.6 OUTLIER -59.48 -46.24 89.38 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.795 0.331 . . . . 0.0 110.945 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.449 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . 35.6 t -74.18 -37.57 46.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.477 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -64.82 -26.53 68.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.454 179.807 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.457 ' CE1' ' NH1' ' A' ' 40' ' ' ARG . 23.7 m-70 -73.5 -36.87 65.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.34 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.449 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 5.9 pt20 -79.51 -31.95 42.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.757 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.64 -66.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.932 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.41 -40.86 12.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.49 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -57.68 -57.98 10.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.85 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 31.9 t -65.01 -30.07 71.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.416 ' HA ' ' CE2' ' A' ' 116' ' ' TRP . . . -72.32 68.44 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.6 145.45 6.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -105.1 134.12 19.81 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.597 0.237 . . . . 0.0 110.832 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.64 -78.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.421 2.08 . . . . 0.0 112.342 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -148.12 -67.07 0.24 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.842 0.353 . . . . 0.0 111.126 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.29 -35.15 76.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -58.26 -41.32 83.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.038 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -79.71 -46.96 16.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -54.63 -23.1 15.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.275 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.426 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 1.0 OUTLIER -90.12 -52.42 4.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.99 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.7 p -68.52 -9.83 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.4 p -121.12 -38.9 2.75 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.07 -9.9 35.18 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -128.25 -62.37 1.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.758 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.71 149.95 0.38 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.936 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.99 160.25 48.11 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.779 2.319 . . . . 0.0 112.451 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -49.46 -32.45 12.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.4 m -60.45 -45.07 95.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.732 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -34.41 76.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.684 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -70.31 -32.91 70.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.812 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -59.56 -48.22 82.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.813 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -73.79 -25.7 60.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -54.75 -62.1 1.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.146 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -70.15 -29.79 66.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.254 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -58.05 -63.89 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.245 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.41 ' CD1' ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -54.0 -39.11 65.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.298 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 6.0 t80 -74.77 -28.66 60.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.229 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.0 p -52.13 -51.68 56.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.956 0.408 . . . . 0.0 110.557 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -37.23 85.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.433 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 87.9 m -56.05 -48.06 76.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.973 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -60.0 -31.05 69.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -86.19 -32.33 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.981 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 81.2 p -62.07 -52.09 65.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.157 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.477 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 20.7 mt -62.0 -29.01 69.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.822 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -60.07 4.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.787 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 53.8 mtm -56.37 -26.82 54.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.849 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.03 -54.27 11.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.453 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 1.3 t70 -81.74 49.96 1.43 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.251 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -130.55 -47.67 1.06 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.924 0.392 . . . . 0.0 111.041 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -61.18 -16.63 46.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.917 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.453 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 53.4 m80 . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.828 0.347 . . . . 0.0 111.254 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 10.8 mt . . . . . 0 CA--C 1.529 0.154 0 CA-C-O 120.641 0.258 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -56.48 -23.92 50.18 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.554 2.169 . . . . 0.0 112.889 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.54 -8.79 18.78 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -51.93 -29.89 22.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.874 0.369 . . . . 0.0 111.069 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -79.13 -53.73 6.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.383 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.5 m -63.62 -46.24 95.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.444 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -55.59 33.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.874 0.368 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -62.66 -26.08 68.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -50.25 70.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.888 0.375 . . . . 0.0 110.631 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -57.99 -29.54 65.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.618 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.1 m -63.75 -38.8 92.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.746 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.2 -45.43 91.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.035 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -26.53 41.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.911 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 34.5 m -60.21 -40.98 92.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.028 0.442 . . . . 0.0 110.117 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.31 -41.94 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.411 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.416 ' CE2' ' HA ' ' A' ' 47' ' ' ALA . 41.1 m95 -63.19 -47.77 81.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.655 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 25.8 t -56.58 -49.62 74.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.456 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -59.55 -31.82 69.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.448 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.2 ttt -72.71 -32.9 66.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.519 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -43.82 74.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.56 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -84.0 -35.91 23.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.869 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.24 -59.99 2.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.15 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.418 HD13 ' CE2' ' A' ' 56' ' ' PHE . 5.6 tp -53.88 -44.72 70.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.071 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -59.24 -49.9 76.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -58.68 -50.47 73.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.014 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.15 -39.73 93.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.426 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 12.0 ttm -59.13 -33.61 71.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 135.04 39.89 0.17 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.575 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.418 HG23 HD11 ' A' ' 129' ' ' ILE . 33.0 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.778 0.323 . . . . 0.0 111.036 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.405 HG22 ' HB2' ' A' ' 35' ' ' GLN . 12.4 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.847 0.356 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.1 m -60.5 -29.64 69.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.6 m -67.9 -36.07 79.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.64 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.405 ' HB2' HG22 ' A' ' 32' ' ' THR . 0.0 OUTLIER -77.47 -33.44 54.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.639 179.764 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -52.89 -48.46 67.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.207 0.527 . . . . 0.0 109.909 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 pp -81.12 -21.84 39.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.477 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.0 t -58.76 -42.93 90.06 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 120.888 0.375 . . . . 0.0 110.76 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.9 t -77.56 -43.12 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.407 ' HA ' HD21 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -61.53 -25.15 67.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.518 179.801 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -78.16 -34.38 49.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.827 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -84.92 -27.95 26.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.433 ' HB3' HD23 ' A' ' 80' ' ' LEU . 1.3 tm? -80.59 -54.83 5.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.942 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.48 ' N ' HD23 ' A' ' 80' ' ' LEU . . . -56.7 -50.21 72.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.147 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.83 -44.38 82.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.823 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 t -75.66 -23.23 56.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.94 68.0 0.29 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.019 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.425 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 171.85 173.81 38.93 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.446 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.8 mt -111.02 158.01 37.07 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.594 0.235 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -66.91 -77.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.575 2.183 . . . . 0.0 112.48 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.59 -76.46 0.16 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.87 0.367 . . . . 0.0 111.338 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.68 -40.73 80.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.316 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -27.59 26.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.229 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.4 ' HA ' HG13 ' A' ' 57' ' ' VAL . 18.8 t-80 -86.5 -40.82 14.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.881 0.372 . . . . 0.0 111.009 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -16.71 51.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.437 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -98.09 -35.09 10.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.465 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.4 HG13 ' HA ' ' A' ' 54' ' ' HIS . 14.8 p -79.06 -9.96 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.13 -41.95 2.3 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.94 -9.78 54.83 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -130.89 -61.03 0.95 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.13 149.9 0.66 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.947 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.38 160.33 35.69 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.916 2.41 . . . . 0.0 112.484 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.42 -30.39 5.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.02 -44.93 96.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.472 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.72 -33.59 71.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.503 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -74.92 -33.02 61.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.767 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -58.74 -46.02 88.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.937 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -73.32 -33.39 65.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -59.69 -55.3 36.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -70.01 -29.98 67.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.025 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -64.97 -57.7 8.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.041 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.407 HD11 ' CE2' ' A' ' 116' ' ' TRP . 4.4 pp -59.34 -31.69 69.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -79.23 -30.35 43.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.148 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 m -54.55 -54.01 46.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.969 0.414 . . . . 0.0 110.58 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -63.88 -37.52 87.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.442 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 85.8 m -56.23 -43.42 78.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.798 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.43 -36.3 75.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.687 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.66 -36.29 26.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.755 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 60.1 p -56.34 -47.76 78.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.48 HD23 ' N ' ' A' ' 44' ' ' ALA . 5.3 mt -67.81 -37.08 81.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.74 -44.96 70.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.6 mtp -66.69 -27.71 67.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.747 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.01 -60.88 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.428 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 2.6 p30 -82.63 56.62 3.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.1 tpp -130.21 -48.67 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -55.46 -23.34 24.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.792 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.428 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 16.5 m80 . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 121.003 0.43 . . . . 0.0 111.053 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 CA--C 1.529 0.149 0 CA-C-O 120.528 0.204 . . . . 0.0 110.685 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -56.59 -23.35 48.04 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.456 2.104 . . . . 0.0 112.686 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.94 -8.85 45.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.643 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -72.13 -29.69 64.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.936 0.398 . . . . 0.0 110.434 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -78.4 -47.55 17.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.077 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 107' ' ' ASP . 22.1 m -58.4 -44.12 87.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.258 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.401 ' N ' HG23 ' A' ' 106' ' ' VAL . 66.1 m-20 -59.95 -50.91 71.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.749 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -66.09 -29.28 69.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -48.67 77.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.611 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -57.19 -32.88 66.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.682 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.2 m -60.18 -38.69 83.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.738 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.46 94.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.215 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.68 -31.8 54.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.353 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 15.8 p -57.49 -51.81 67.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.021 0.439 . . . . 0.0 110.351 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -71.93 -47.13 54.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.729 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.425 ' CH2' ' HA2' ' A' ' 48' ' ' GLY . 53.9 m95 -60.27 -54.3 47.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.4 m -54.03 -47.25 71.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.025 0.44 . . . . 0.0 110.58 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -60.41 -32.69 71.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.547 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.4 ttt -73.17 -35.64 66.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.661 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -44.28 63.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.668 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -80.86 -38.81 27.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.047 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.38 -58.68 4.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.196 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 tp -50.98 -43.74 60.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.37 -40.76 83.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.776 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -64.91 -54.86 24.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.53 -29.37 69.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 16.5 ttm -64.07 -33.88 76.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 130.88 36.04 0.37 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.799 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 120.765 0.316 . . . . 0.0 111.017 179.914 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 120.779 0.323 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 p -47.43 -35.27 8.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.287 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 m -70.35 -32.84 70.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.434 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.7 -43.42 89.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.538 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -53.01 -50.61 63.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.09 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.478 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 1.4 pp -81.39 -17.5 48.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.198 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.1 t -67.93 -31.87 71.93 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.743 0.306 . . . . 0.0 111.173 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.0 m -88.32 -37.04 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.334 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.478 ' CG ' ' HA ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -63.53 -24.76 67.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.954 0.406 . . . . 0.0 110.404 179.492 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -84.19 -36.26 22.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.452 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -30.42 30.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.49 -58.68 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.998 -179.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.426 ' N ' HD22 ' A' ' 80' ' ' LEU . . . -53.42 -43.04 67.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.359 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -57.38 -47.5 81.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.994 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 m -74.64 -25.92 59.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.034 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.96 73.65 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.066 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.421 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 162.95 118.87 0.47 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.582 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.9 mt -65.67 149.35 97.46 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.676 0.274 . . . . 0.0 110.829 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.09 -82.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.553 2.169 . . . . 0.0 112.446 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.09 -68.45 0.23 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.772 0.32 . . . . 0.0 110.994 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -32.27 71.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.731 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -36.23 82.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.445 ' CE1' ' CB ' ' A' ' 58' ' ' SER . 22.8 t-80 -84.19 -39.11 19.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -54.55 -22.52 13.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.431 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -93.88 -54.41 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.759 0.314 . . . . 0.0 111.214 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.3 p -65.14 -9.96 8.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.445 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 2.1 m -121.94 -28.99 4.35 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.41 -9.83 16.56 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -179.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -127.15 -62.15 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.704 0.288 . . . . 0.0 111.706 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.68 149.96 0.37 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.001 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.91 160.29 46.29 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.813 2.342 . . . . 0.0 112.56 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -48.85 -29.0 4.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.353 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -59.88 -47.25 86.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.816 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.31 -32.01 55.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.719 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -62.28 -53.12 59.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 68' ' ' ARG . 28.4 p30 -60.01 -31.89 70.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.894 0.378 . . . . 0.0 110.233 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.442 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 0.5 OUTLIER -66.43 -30.99 71.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.172 179.07 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -59.76 -65.18 0.72 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.922 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -57.94 -25.56 61.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.272 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -58.37 -68.22 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.249 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.5 pp -56.57 -36.56 69.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.136 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -71.84 -29.9 64.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.0 -48.33 73.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.968 0.414 . . . . 0.0 110.511 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -73.14 -21.58 60.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.729 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.418 ' HA ' ' CG2' ' A' ' 79' ' ' THR . 19.8 m -76.39 -36.77 57.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.084 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -75.29 -22.7 57.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.373 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.32 -26.85 15.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.506 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.418 ' CG2' ' HA ' ' A' ' 76' ' ' THR . 11.5 t -75.24 -42.32 55.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.344 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 44' ' ' ALA . 20.3 mt -57.04 -35.35 69.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.116 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.71 -43.45 98.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.3 mtm -61.39 -21.26 63.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.209 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.1 -40.09 53.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.763 0.316 . . . . 0.0 111.157 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.428 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 2.0 t0 -86.97 43.74 1.12 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.322 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 28.7 mtp -130.55 -44.78 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.992 0.425 . . . . 0.0 111.038 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -52.43 -27.37 15.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.218 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.428 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 11.6 m80 . . . . . 0 C--N 1.33 -0.248 0 CA-C-O 120.94 0.4 . . . . 0.0 111.248 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.7 mt . . . . . 0 CA--C 1.527 0.083 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.36 -39.32 2.92 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.667 2.244 . . . . 0.0 112.801 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.36 -8.83 59.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.709 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -52.15 -58.01 7.87 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.933 0.397 . . . . 0.0 110.789 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -60.2 -46.44 89.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.707 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.43 -44.37 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.223 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -56.78 -55.06 39.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.804 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.9 -22.8 64.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -66.07 0.55 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.845 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -30.32 63.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.866 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.5 t -58.44 -36.25 73.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.66 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.61 -47.54 72.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.727 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.89 -28.33 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.619 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.7 m -59.69 -38.86 82.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.266 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -87.16 -42.04 13.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.324 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.421 ' CH2' ' HA2' ' A' ' 48' ' ' GLY . 56.2 m95 -62.21 -49.77 74.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.488 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.4 t -58.17 -49.73 76.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.366 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -60.75 -32.62 71.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.431 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.3 ttt -65.37 -43.98 89.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.682 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -52.27 -39.77 60.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.816 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -83.05 -34.91 26.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.63 -59.38 2.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.73 -44.12 66.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.977 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -57.9 -36.29 72.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -74.12 -45.72 47.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.84 81.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.078 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 11.8 ttm -60.14 -49.38 77.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 157.65 42.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.534 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 37.2 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.121 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.879 0.371 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.34 -37.89 89.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.801 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.3 m -65.88 -39.82 91.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.594 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.08 -38.03 81.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.56 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -52.98 -51.03 62.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.187 0.518 . . . . 0.0 110.082 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.466 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 3.2 pp -80.98 -15.51 56.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.967 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.3 t -71.13 -27.59 63.68 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-O 120.828 0.347 . . . . 0.0 110.699 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.4 t -88.05 -37.75 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.773 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.466 ' CG ' ' HA ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -69.69 -28.89 66.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.301 179.476 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -75.79 -36.54 59.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.324 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.0 -31.07 31.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -78.48 -57.22 3.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.412 ' N ' HD21 ' A' ' 80' ' ' LEU . . . -54.41 -39.55 67.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.231 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.04 -49.91 76.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.37 -28.53 64.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.15 75.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.111 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.446 ' N ' ' CZ3' ' A' ' 116' ' ' TRP . . . 162.97 128.17 0.93 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.544 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.5 mt -71.8 146.12 90.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.645 0.259 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.72 -79.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.631 2.221 . . . . 0.0 112.51 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.09 -73.11 0.2 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.754 0.312 . . . . 0.0 110.973 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.43 -30.75 67.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -30.57 70.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.401 ' HA ' HG11 ' A' ' 57' ' ' VAL . 28.9 t-80 -85.57 -37.61 19.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -60.21 -18.43 48.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.451 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.422 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 0.7 OUTLIER -94.71 -55.98 2.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.724 0.297 . . . . 0.0 111.096 -179.713 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.401 HG11 ' HA ' ' A' ' 54' ' ' HIS . 10.5 p -63.89 -10.43 7.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.7 p -120.72 -41.33 2.58 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.9 -9.81 41.87 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -126.9 -63.64 1.05 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.697 0.284 . . . . 0.0 111.658 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.48 150.01 0.55 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.852 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.8 160.24 48.47 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.693 2.262 . . . . 0.0 112.312 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.48 -30.25 7.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.8 m -62.17 -46.92 86.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.764 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.49 -30.73 71.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.726 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -73.15 -32.94 65.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -59.86 -48.49 81.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -29.07 69.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.958 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -57.41 -62.37 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -68.2 -25.24 65.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -61.95 2.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.999 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.4 pp -58.96 -31.94 69.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.06 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -78.85 -31.55 45.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.965 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.4 t -55.12 -41.39 71.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.49 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -81.2 -23.23 38.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.727 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 86.0 m -77.69 -40.94 39.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -69.15 -32.28 71.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.258 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -25.63 32.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.17 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.5 p -77.74 -42.93 32.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.412 HD21 ' N ' ' A' ' 44' ' ' ALA . 21.3 mt -55.53 -35.85 66.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.791 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.38 -41.21 96.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.579 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 45.9 mtm -57.96 -37.87 74.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.726 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.65 -63.24 1.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.613 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.421 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -84.39 53.81 2.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.987 179.753 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -118.9 -48.24 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.461 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.489 ' O ' ' C ' ' A' ' 87' ' ' HIS . 7.4 mt-30 -64.0 -92.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.965 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.489 ' C ' ' O ' ' A' ' 86' ' ' GLN . 28.2 m80 . . . . . 0 N--CA 1.471 0.603 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.528 0.122 0 CA-C-O 120.607 0.241 . . . . 0.0 110.568 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -51.85 -20.63 10.22 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.611 2.208 . . . . 0.0 113.046 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.413 ' O ' HG21 ' A' ' 106' ' ' VAL . 8.3 p80 -98.56 -8.87 25.77 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -60.05 -28.24 67.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.929 0.395 . . . . 0.0 110.768 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -78.94 -52.04 8.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.358 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 107' ' ' ASP . 32.5 m -57.83 -45.07 87.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.728 0.299 . . . . 0.0 111.474 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.435 ' N ' HG23 ' A' ' 106' ' ' VAL . 0.3 OUTLIER -62.71 -44.22 96.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.933 0.397 . . . . 0.0 110.761 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -74.44 -28.27 60.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -60.32 2.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.883 0.373 . . . . 0.0 110.616 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -34.87 19.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.686 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.0 m -61.24 -34.61 75.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.452 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.39 91.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.718 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -29.58 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.634 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 91.2 m -61.09 -38.02 84.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.145 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -84.64 -42.97 14.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.343 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.446 ' CZ3' ' N ' ' A' ' 48' ' ' GLY . 44.7 m95 -63.9 -51.66 63.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.423 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.6 m -54.33 -44.79 72.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.367 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -60.84 -32.87 72.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.363 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.5 ttt -68.41 -37.11 80.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.562 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -54.96 -41.71 71.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.596 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.0 -42.56 17.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.921 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.92 -59.9 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.422 ' HG ' ' CD2' ' A' ' 56' ' ' PHE . 6.3 tp -53.21 -42.58 66.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -58.74 -49.68 76.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -60.29 -51.41 69.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.23 -35.97 78.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.999 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 30.7 ttm -58.34 -27.8 64.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 132.14 32.98 0.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.621 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 24.2 mt . . . . . 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.34 . . . . 0.0 110.996 179.916 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.0 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.09 -30.72 49.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.264 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -68.9 -33.63 74.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -69.4 -42.32 75.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.814 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.92 -49.5 65.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.085 0.469 . . . . 0.0 110.104 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.431 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 2.5 pp -80.99 -16.81 52.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.03 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.7 t -66.88 -28.23 68.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.81 0.338 . . . . 0.0 110.721 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.431 ' HB ' ' HG2' ' A' ' 109' ' ' MET . 6.1 m -90.93 -38.21 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.431 ' CG ' ' HA ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -65.14 -26.21 68.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.897 0.379 . . . . 0.0 110.112 179.335 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -84.44 -34.66 23.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.497 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.8 -35.65 38.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.449 ' CG ' ' HG3' ' A' ' 109' ' ' MET . 0.0 OUTLIER -72.3 -64.44 0.95 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.853 0.358 . . . . 0.0 110.891 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.04 -37.2 20.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.484 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -58.39 -47.88 82.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.67 -27.85 45.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.998 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 48' ' ' GLY . . . -65.03 -163.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.508 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 33.97 102.51 0.01 OUTLIER Glycine 0 CA--C 1.522 0.528 0 CA-C-N 115.981 -0.554 . . . . 0.0 114.224 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.48 HD13 ' HD2' ' A' ' 50' ' ' PRO . 2.2 mm? -50.5 163.47 0.46 Allowed Pre-proline 0 N--CA 1.463 0.214 0 O-C-N 122.842 -0.211 . . . . 0.0 110.599 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.48 ' HD2' HD13 ' A' ' 49' ' ' LEU . 41.8 Cg_endo -69.44 -87.23 0.0 OUTLIER 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.363 2.042 . . . . 0.0 112.537 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.18 -67.77 0.24 Allowed 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.831 0.348 . . . . 0.0 111.123 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -56.17 -37.92 70.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.108 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -25.72 33.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.407 ' HA ' ' CG1' ' A' ' 57' ' ' VAL . 26.8 t-80 -82.19 -40.81 21.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.874 0.369 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -56.93 -21.24 28.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.497 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -97.44 -50.29 4.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.739 0.304 . . . . 0.0 111.307 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.407 ' CG1' ' HA ' ' A' ' 54' ' ' HIS . 13.9 p -65.82 -9.96 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.6 t -122.18 -37.96 2.76 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.41 -9.73 40.6 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -130.64 -63.27 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.863 0.319 . . . . 0.0 111.863 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.62 151.17 0.32 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.12 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.68 160.38 46.52 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.803 2.335 . . . . 0.0 112.549 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -46.12 -42.22 13.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.329 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.93 -35.13 63.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.985 0.422 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.53 -29.22 30.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.791 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -77.02 -53.08 8.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.51 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -59.73 -35.77 75.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.072 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -72.59 -28.37 62.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.799 0.333 . . . . 0.0 110.77 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.432 ' CE2' HD23 ' A' ' 49' ' ' LEU . 7.3 t80 -56.55 -59.99 4.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -71.34 -28.49 64.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.164 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -58.46 -64.19 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.017 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.434 ' CD1' ' NE1' ' A' ' 116' ' ' TRP . 4.2 pp -55.93 -29.86 60.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.419 ' CE2' ' HG3' ' A' ' 77' ' ' GLN . 8.4 t80 -78.57 -35.7 45.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.4 m -49.15 -43.9 42.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.895 0.379 . . . . 0.0 110.43 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -73.32 -33.65 65.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.101 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 99.8 m -66.58 -55.37 15.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.629 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.419 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 2.0 mt-30 -50.09 -36.28 28.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.236 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.35 -44.72 24.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.1 p -55.45 -28.2 52.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.961 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.421 ' HA ' ' HE1' ' A' ' 109' ' ' MET . 18.2 mt -75.2 -32.17 61.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.693 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -64.05 -48.4 76.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.576 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.2 mtp -61.11 -19.14 61.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.875 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.31 23.87 5.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.523 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -142.58 22.74 1.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.695 0.283 . . . . 0.0 111.198 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.8 tpt -130.39 -34.4 1.6 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -53.05 -23.28 7.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.4 m80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 111.437 -179.562 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.406 ' HB2' ' CG ' ' A' ' 104' ' ' GLU . 3.6 mt . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.633 0.254 . . . . 0.0 110.759 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.93 -39.93 3.88 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.501 2.134 . . . . 0.0 112.731 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -78.52 -8.67 58.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.698 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.406 ' CG ' ' HB2' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -44.24 -63.24 0.92 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.843 0.354 . . . . 0.0 111.219 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -59.58 -53.05 62.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.6 t -46.3 -61.3 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.588 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.41 -55.83 29.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.078 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.03 -21.29 44.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.361 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.449 ' HG3' ' CG ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -67.17 -60.27 2.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.877 -179.833 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -52.07 -25.49 8.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.8 t -65.87 -39.96 91.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.128 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.11 -43.28 98.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.662 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.54 -28.69 45.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.707 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 79.2 m -61.4 -39.23 89.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.069 0.462 . . . . 0.0 110.129 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -86.73 -38.92 16.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.515 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.508 ' CH2' ' N ' ' A' ' 48' ' ' GLY . 37.0 m95 -68.9 -45.88 69.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.015 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 54.6 m -62.21 -43.49 98.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.035 0.445 . . . . 0.0 110.189 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -61.76 -34.27 75.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.417 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.0 ttt -72.26 -36.33 69.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.697 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -51.69 -44.2 63.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.78 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -81.89 -39.65 23.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.01 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.27 -59.44 3.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.189 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.8 tp -52.48 -42.48 64.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.227 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -54.11 49.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.831 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 44.8 m170 -59.75 -45.46 92.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.022 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.88 84.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.266 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 10.2 ttm -58.51 -30.76 67.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 136.42 41.65 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.575 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.0 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.756 0.312 . . . . 0.0 110.991 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.787 0.327 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.4 m -54.78 -26.37 34.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 82.3 p -70.74 -35.61 72.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.488 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 1.3 tm0? -69.54 -41.89 75.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.014 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.5 mt -52.91 -48.62 67.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.072 0.463 . . . . 0.0 110.385 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 pp -81.15 -22.38 39.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.832 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.488 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 5.7 m -59.69 -33.77 72.02 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.869 0.366 . . . . 0.0 110.492 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.418 ' HB ' ' HG2' ' A' ' 109' ' ' MET . 10.6 m -85.15 -41.78 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.348 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.411 ' NH1' ' NE2' ' A' ' 41' ' ' HIS . 0.0 OUTLIER -59.49 -25.27 64.31 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.141 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.411 ' NE2' ' NH1' ' A' ' 40' ' ' ARG . 4.5 m-70 -78.97 -38.34 37.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.255 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -81.08 -31.08 34.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.993 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.487 ' HG ' ' HG3' ' A' ' 109' ' ' MET . 0.0 OUTLIER -71.67 -64.22 0.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.7 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.42 -37.71 49.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.422 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.84 -57.86 9.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.025 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.2 m -68.57 -28.71 67.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.48 74.36 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.203 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.98 140.36 2.85 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.406 ' CD1' HG12 ' A' ' 57' ' ' VAL . 38.9 mt -82.75 141.71 44.75 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.516 0.198 . . . . 0.0 110.765 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -55.24 -76.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.285 1.99 . . . . 0.0 112.554 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.61 -72.29 0.2 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.771 0.319 . . . . 0.0 111.52 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.38 -37.04 79.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.422 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -25.86 9.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.275 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -86.11 -39.18 17.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.877 0.37 . . . . 0.0 111.038 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.31 -17.32 28.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.682 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -98.67 -47.58 5.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.722 0.296 . . . . 0.0 111.214 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.406 HG12 ' CD1' ' A' ' 49' ' ' LEU . 13.3 p -68.19 -9.93 11.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 93.7 p -123.8 -37.79 2.57 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.92 -9.81 47.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -134.16 -60.55 0.81 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.911 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.65 149.99 0.3 Allowed Pre-proline 0 N--CA 1.463 0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.084 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -73.86 160.33 43.58 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.801 2.334 . . . . 0.0 112.544 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -46.93 -41.87 16.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.231 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.1 p -55.01 -33.12 62.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.031 0.443 . . . . 0.0 110.599 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.11 -33.35 33.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.661 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -77.01 -53.06 8.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.548 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.7 p30 -58.09 -34.07 69.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.262 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -74.05 -26.96 60.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.845 0.355 . . . . 0.0 110.739 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -57.88 -59.73 4.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.0 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.66 -28.86 70.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.988 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.43 -67.18 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.02 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.41 ' CD1' ' N ' ' A' ' 73' ' ' TYR . 4.5 pp -54.27 -39.76 67.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.017 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 6.2 t80 -68.9 -33.57 73.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.71 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.39 -37.01 55.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.097 0.475 . . . . 0.0 110.268 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.99 -26.81 48.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.569 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.444 ' HA ' HG22 ' A' ' 79' ' ' THR . 61.9 m -75.51 -36.47 60.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.187 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.73 -25.4 59.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.447 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.14 -27.26 16.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.603 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.444 HG22 ' HA ' ' A' ' 76' ' ' THR . 13.0 t -71.9 -46.89 56.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.345 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.408 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 4.8 mt -49.33 -35.26 17.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.851 0.358 . . . . 0.0 110.932 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -55.93 -32.81 64.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.604 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 46.0 mtm -71.01 -24.98 62.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.762 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.33 -37.88 56.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.122 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.493 ' HA ' ' HE1' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -94.79 46.14 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.91 -63.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.036 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -34.72 -62.35 0.36 Allowed 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -178.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.493 ' HE1' ' HA ' ' A' ' 84' ' ' ASP . 1.7 p80 . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.861 0.362 . . . . 0.0 111.144 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.0 mt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.737 0.303 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.34 -36.28 2.44 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.65 2.234 . . . . 0.0 112.72 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -87.96 -8.97 54.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.633 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.27 -50.48 72.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.968 0.414 . . . . 0.0 110.74 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -63.37 -37.84 88.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.798 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 26.5 t -68.53 -57.67 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.159 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.55 -49.27 75.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.032 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.07 -24.71 67.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.487 ' HG3' ' HG ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -68.65 -61.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.826 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -21.39 32.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.976 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.86 -38.13 79.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.925 0.393 . . . . 0.0 110.489 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.15 -45.92 83.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.7 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -62.4 -25.58 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.696 179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 68.9 m -63.03 -38.98 93.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.022 0.439 . . . . 0.0 109.898 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -83.09 -40.07 20.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.253 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -67.14 -48.69 67.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.568 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.2 t -54.21 -46.32 72.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.556 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -58.38 -31.8 67.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.385 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.2 ttt -72.86 -31.78 64.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.522 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -55.83 -43.28 76.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.613 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -85.86 -33.86 21.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.884 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.62 -57.83 4.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.6 tp -57.5 -45.25 85.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.007 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -58.23 -48.86 79.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.025 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -65.87 -42.22 90.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.1 -38.05 81.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 21.7 ttm -57.4 -51.08 70.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 159.91 39.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.441 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 42.1 mt . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 111.051 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.792 0.33 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.8 p -60.33 -37.53 80.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.621 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.9 m -65.83 -30.64 71.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.544 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.19 -34.6 56.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.74 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -52.84 -49.14 66.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.132 0.491 . . . . 0.0 109.944 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 pp -79.17 -26.84 42.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.282 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 t -59.61 -32.71 70.66 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.997 0.427 . . . . 0.0 110.432 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.9 t -78.03 -51.47 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.739 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.422 ' NH1' ' CD2' ' A' ' 41' ' ' HIS . 0.0 OUTLIER -59.05 -22.8 61.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.816 0.341 . . . . 0.0 110.264 179.39 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.422 ' CD2' ' NH1' ' A' ' 40' ' ' ARG . 1.9 m-70 -77.55 -33.31 54.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.718 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.442 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 1.2 pt20 -81.83 -29.56 32.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.442 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -77.8 -59.68 2.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 -179.81 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.66 -36.55 62.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.367 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.88 -48.49 81.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.9 m -77.9 -26.74 49.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.073 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.47 ' O ' ' O ' ' A' ' 48' ' ' GLY . . . -69.11 -163.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.137 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.528 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 34.16 107.49 0.0 OUTLIER Glycine 0 CA--C 1.522 0.513 0 CA-C-N 115.827 -0.624 . . . . 0.0 114.465 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.53 HD23 ' CZ3' ' A' ' 116' ' ' TRP . 2.7 mm? -53.19 150.07 11.9 Favored Pre-proline 0 N--CA 1.462 0.15 0 CA-C-O 120.652 0.263 . . . . 0.0 110.972 179.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.39 -81.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.469 2.113 . . . . 0.0 112.184 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.28 -69.91 0.22 Allowed 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.792 0.33 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.34 -30.06 68.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.233 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.22 -27.34 45.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.265 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -89.57 -28.5 19.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.173 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -64.61 -20.77 66.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.523 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.42 ' CD2' ' HG3' ' A' ' 127' ' ' MET . 0.0 OUTLIER -99.6 -49.91 4.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.727 0.299 . . . . 0.0 111.12 -179.634 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.4 p -66.42 -9.88 9.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.6 t -121.01 -39.88 2.67 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.01 -9.91 46.87 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.16 0.429 . . . . 0.0 112.16 -179.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -129.27 -59.15 1.11 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.716 0.293 . . . . 0.0 111.5 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.52 150.04 1.28 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.649 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.77 160.26 46.63 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -48.75 -36.11 15.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.135 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.1 m -59.32 -38.23 79.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.717 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.74 -34.94 67.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.683 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -73.41 -32.93 64.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.814 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -60.38 -46.64 89.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.707 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -73.72 -29.09 62.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.448 ' CE2' ' CD2' ' A' ' 49' ' ' LEU . 10.0 t80 -51.2 -58.09 7.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -75.54 -28.46 59.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.223 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.87 -65.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.088 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.423 ' CD1' ' NE1' ' A' ' 116' ' ' TRP . 4.5 pp -54.12 -37.75 64.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.069 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.416 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 9.7 t80 -70.38 -31.36 68.57 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.644 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.42 -46.86 63.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.913 0.387 . . . . 0.0 110.282 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.26 -23.99 61.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.365 179.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.487 ' HA ' HG23 ' A' ' 79' ' ' THR . 91.6 m -77.75 -53.99 6.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -59.59 -24.35 63.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.574 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.42 -38.36 12.04 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.487 HG23 ' HA ' ' A' ' 76' ' ' THR . 12.4 t -63.24 -41.06 99.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.736 0.303 . . . . 0.0 111.04 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.4 mt -56.89 -39.92 75.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.921 0.391 . . . . 0.0 110.797 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -45.66 91.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.75 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 50.4 mtm -58.45 -31.62 67.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.688 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.28 -56.43 7.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.793 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.435 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 19.0 t70 -84.64 55.14 3.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.742 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.24 -47.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -25.99 25.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.571 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.435 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 11.8 m80 . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 120.93 0.395 . . . . 0.0 110.93 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.424 ' HB2' ' CE1' ' A' ' 103' ' ' HIS . 44.3 mt . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 120.677 0.275 . . . . 0.0 110.727 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -61.46 -9.94 14.72 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.746 2.298 . . . . 0.0 113.639 -179.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.424 ' CE1' ' HB2' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -91.64 -8.75 46.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.664 0.269 . . . . 0.0 111.437 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.62 -29.81 65.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.904 0.383 . . . . 0.0 110.592 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -79.11 -49.38 12.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.124 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 103' ' ' HIS . 36.0 m -52.81 -45.36 50.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.226 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.08 -49.8 70.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.515 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.73 -24.07 66.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.965 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.425 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -72.21 -53.48 12.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.62 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.92 -25.85 22.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.49 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -71.08 -38.27 72.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.425 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.54 -46.27 90.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.625 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.24 -27.81 42.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.807 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 25.9 m -59.98 -43.02 95.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.982 0.42 . . . . 0.0 110.252 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.6 -37.14 18.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.602 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.53 ' CZ3' HD23 ' A' ' 49' ' ' LEU . 35.5 m95 -68.44 -43.12 77.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.845 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 67.5 m -62.18 -45.45 93.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.125 0.488 . . . . 0.0 109.757 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -62.7 -39.39 93.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.278 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.1 ttt -65.85 -37.1 85.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.547 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.32 -43.92 64.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.729 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -81.42 -33.96 31.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.949 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.49 -60.86 2.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.313 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.1 tp -51.0 -45.56 61.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.05 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -58.58 -48.9 79.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -60.86 -53.29 59.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.212 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.95 -36.79 75.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.397 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.42 ' HG3' ' CD2' ' A' ' 56' ' ' PHE . 9.9 ttm -55.47 -43.51 75.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 154.81 41.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 22.3 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 111.045 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.886 0.374 . . . . 0.0 111.297 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -37.73 53.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.199 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 38' ' ' SER . 5.3 m -61.4 -43.46 98.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.518 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.515 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 0.2 OUTLIER -67.81 -41.37 83.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.628 179.74 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -53.65 -48.9 68.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.067 0.46 . . . . 0.0 109.933 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.448 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 2.0 pp -81.11 -17.03 51.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.185 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.515 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 0.3 OUTLIER -70.96 -24.29 62.39 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.742 179.714 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.1 t -89.66 -43.02 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.536 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.448 ' CG ' ' HA ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -63.07 -27.37 69.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.348 179.639 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.419 ' CD2' HD13 ' A' ' 37' ' ' LEU . 4.7 m-70 -79.08 -38.63 35.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.489 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -79.78 -31.5 40.84 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.233 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.419 ' CG ' ' HG3' ' A' ' 109' ' ' MET . 0.1 OUTLIER -74.36 -60.99 2.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.018 -179.649 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.8 -41.8 45.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.303 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.38 -47.49 85.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.663 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.27 -26.26 60.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.955 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.03 69.39 0.19 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.068 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.401 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 178.46 144.88 5.8 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.473 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.5 mt -82.46 144.71 50.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.602 0.239 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -54.65 -76.45 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.451 2.101 . . . . 0.0 112.656 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.36 -80.99 0.13 Allowed 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -60.84 -30.09 69.89 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.803 0.335 . . . . 0.0 111.304 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -50.09 -34.88 23.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.061 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.439 ' HA ' HG13 ' A' ' 57' ' ' VAL . 28.4 t-80 -76.14 -45.33 34.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.218 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -55.45 -21.25 15.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.474 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.413 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 1.9 t80 -91.65 -54.45 3.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 111.121 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.439 HG13 ' HA ' ' A' ' 54' ' ' HIS . 13.3 p -67.92 -9.9 11.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -179.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 t -122.0 -34.8 3.28 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.13 -9.77 20.23 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -123.02 -68.28 0.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.765 0.317 . . . . 0.0 111.644 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.01 149.89 0.48 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.855 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.65 160.26 41.39 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.746 2.297 . . . . 0.0 112.331 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -46.58 -29.95 2.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.2 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 p -61.7 -47.06 87.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.659 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.09 -31.08 72.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.629 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -73.79 -32.96 64.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.697 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -56.91 -48.17 78.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.796 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -69.93 -34.87 74.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.555 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -60.05 -48.18 82.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.645 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -75.28 -31.74 60.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.785 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -59.44 -58.52 8.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.773 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.401 ' CD1' ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -58.61 -38.33 77.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.764 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.401 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 4.0 t80 -72.04 -29.59 64.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.07 -39.43 72.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.998 0.428 . . . . 0.0 110.239 179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -78.01 -24.71 47.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.617 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.401 ' O ' HG21 ' A' ' 79' ' ' THR . 31.0 m -76.83 -40.12 48.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -70.49 -25.36 63.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.174 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.34 -39.51 10.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.368 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.401 HG21 ' O ' ' A' ' 76' ' ' THR . 14.7 t -61.02 -38.29 85.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.768 0.318 . . . . 0.0 110.931 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 42.0 mt -59.84 -34.93 73.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.79 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.23 -49.77 74.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.781 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 76.1 mtm -55.25 -24.16 26.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.989 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.416 ' O ' ' CE1' ' A' ' 87' ' ' HIS . . . -77.3 -46.91 21.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.991 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.443 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 0.7 OUTLIER -85.08 47.83 1.47 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.185 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -130.38 -47.95 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -51.99 -31.26 28.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.921 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.443 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 4.5 m80 . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.893 0.378 . . . . 0.0 110.951 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.618 0.247 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.34 -47.43 4.39 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.54 2.16 . . . . 0.0 112.59 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.433 ' HA ' HG23 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -84.82 -8.63 58.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.608 -179.655 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.47 -37.56 12.02 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.803 0.335 . . . . 0.0 111.356 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -79.12 -58.91 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.437 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.433 HG23 ' HA ' ' A' ' 103' ' ' HIS . 29.4 m -52.86 -45.81 51.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.708 0.29 . . . . 0.0 111.557 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.95 -57.1 14.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.382 . . . . 0.0 110.757 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -63.29 -21.35 66.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.441 ' HE3' ' N ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -64.56 -62.66 1.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.845 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -25.89 13.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.719 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -66.94 -37.44 84.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.554 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.39 -43.32 99.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.853 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.63 -30.23 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.748 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 90.3 m -60.14 -35.24 74.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.31 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -86.87 -41.87 13.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.547 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.401 ' CH2' ' HA2' ' A' ' 48' ' ' GLY . 49.0 m95 -66.35 -50.77 62.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.517 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.8 t -56.65 -49.56 74.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.36 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.68 -33.18 71.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.339 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.6 ttt -69.24 -35.45 76.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.601 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -54.4 -44.65 72.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.585 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -81.92 -38.18 25.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.912 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.01 -60.22 2.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.273 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.413 ' HG ' ' CD2' ' A' ' 56' ' ' PHE . 4.6 tp -52.9 -39.66 62.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.85 -44.5 90.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -67.32 -44.61 78.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.33 -31.42 72.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.97 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 9.9 ttm -62.51 -45.94 90.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 151.14 44.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 26.3 mt . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.327 . . . . 0.0 111.132 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.848 0.356 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.2 m -60.1 -37.16 79.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.732 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -33.93 76.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.734 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.568 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 0.5 OUTLIER -70.33 -38.24 74.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.933 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.72 -50.6 63.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.106 0.479 . . . . 0.0 110.15 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 pp -81.33 -23.07 38.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.295 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.568 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 0.3 OUTLIER -61.49 -45.26 94.98 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.825 0.345 . . . . 0.0 110.656 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.2 t -72.78 -37.62 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.728 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.483 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -66.38 -25.34 66.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.241 179.539 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -73.95 -35.08 64.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.367 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 5.1 pt20 -80.78 -32.14 35.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.712 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -77.44 -65.79 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.809 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.75 -45.52 19.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.592 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -55.77 -46.66 77.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.863 0.363 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -73.83 -24.71 59.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.443 ' HA ' ' CE2' ' A' ' 116' ' ' TRP . . . -73.61 63.47 0.83 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.462 ' N ' ' CZ3' ' A' ' 116' ' ' TRP . . . -178.93 113.04 0.39 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.561 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.54 148.74 73.25 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.605 0.241 . . . . 0.0 110.496 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -62.06 -85.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.453 2.102 . . . . 0.0 112.459 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -148.25 -77.17 0.16 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.785 0.326 . . . . 0.0 111.14 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -53.15 -34.92 58.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.259 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -58.13 -35.21 71.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.969 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -79.36 -35.86 40.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.91 -20.33 50.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.71 -59.0 1.86 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.839 0.352 . . . . 0.0 111.0 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.0 p -56.93 -16.13 3.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 t -115.73 -39.89 3.44 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.99 -9.89 29.94 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -123.63 -65.71 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.702 0.287 . . . . 0.0 111.485 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.76 150.09 0.74 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.811 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.68 160.19 48.83 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.792 2.328 . . . . 0.0 112.385 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -49.48 -34.2 16.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.173 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -47.05 84.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.963 0.411 . . . . 0.0 110.68 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.92 -34.91 78.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.462 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -72.39 -32.89 66.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.692 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -55.34 -44.44 75.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -74.05 -28.22 61.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -56.56 -50.15 72.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.78 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -76.73 -34.36 58.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -56.56 -62.66 1.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.402 ' CD1' ' NE1' ' A' ' 116' ' ' TRP . 4.4 pp -54.23 -37.17 64.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.81 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -72.83 -31.32 64.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.81 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.7 m -51.84 -41.11 61.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.04 0.447 . . . . 0.0 110.285 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -77.9 -26.74 49.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.521 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 76.9 m -73.8 -37.95 64.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.022 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -74.15 -25.1 59.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.369 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.12 -31.09 13.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.462 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.3 t -66.82 -47.64 71.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.737 0.303 . . . . 0.0 111.032 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.483 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 32.8 mt -61.79 -38.93 89.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.14 -50.23 71.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.1 mtp -57.98 -26.8 62.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.048 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.05 -26.27 39.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.329 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.503 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 9.4 t70 -95.42 39.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.11 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.5 mtt -130.72 -48.08 1.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.708 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -36.65 -56.47 0.82 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.213 -179.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.503 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 1.2 p80 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 CA--C 1.529 0.152 0 CA-C-O 120.582 0.229 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -61.59 -17.28 53.34 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.58 2.187 . . . . 0.0 112.795 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.408 ' O ' HG21 ' A' ' 106' ' ' VAL . 20.8 p-80 -96.16 -8.8 32.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.625 0.25 . . . . 0.0 111.529 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.26 -29.46 69.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -79.17 -48.75 13.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.225 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 103' ' ' HIS . 30.4 m -56.85 -41.25 75.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.261 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.402 ' N ' HG23 ' A' ' 106' ' ' VAL . 5.0 t0 -66.09 -45.36 81.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.645 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.78 -25.11 64.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.794 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -52.55 54.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.595 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.0 mtm-85 -57.62 -30.91 65.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.677 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 t -60.55 -38.68 85.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.691 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.93 95.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -60.74 -34.86 60.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 11.9 p -57.12 -52.14 66.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.093 0.473 . . . . 0.0 110.209 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -73.86 -46.2 46.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.737 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.462 ' CZ3' ' N ' ' A' ' 48' ' ' GLY . 34.1 m95 -59.63 -54.7 43.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.2 t -53.96 -45.09 71.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.967 0.413 . . . . 0.0 110.592 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -61.24 -37.85 84.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.604 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.3 ttt -65.07 -38.96 92.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.672 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -52.15 -44.07 64.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.833 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -83.07 -34.01 26.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.86 -60.18 2.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.251 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.01 -42.89 69.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.973 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -63.91 -36.85 85.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.803 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -73.64 -41.37 62.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.809 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.84 -35.51 77.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.0 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 16.5 ttm -59.96 -50.46 73.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 159.99 41.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.462 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 19.4 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.791 0.329 . . . . 0.0 111.165 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.869 0.366 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.0 p -47.54 -28.89 2.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.446 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 38' ' ' SER . 50.2 m -69.21 -38.49 78.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.403 ' NE2' ' CG2' ' A' ' 39' ' ' VAL . 37.5 tp60 -70.7 -43.93 68.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.069 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.422 HD12 ' CB ' ' A' ' 86' ' ' GLN . 75.8 mt -52.92 -46.36 68.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.045 0.45 . . . . 0.0 110.371 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.468 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 2.2 pp -81.3 -15.63 54.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.315 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' A' ' 34' ' ' SER . 25.1 p -73.68 -25.85 60.45 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.735 0.302 . . . . 0.0 110.93 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.403 ' CG2' ' NE2' ' A' ' 35' ' ' GLN . 42.0 t -89.17 -37.43 9.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.789 0.328 . . . . 0.0 110.717 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.468 ' CG ' ' HA ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -69.07 -31.27 69.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.01 179.316 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.437 ' CD2' HD12 ' A' ' 37' ' ' LEU . 2.5 m-70 -71.41 -39.76 70.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.126 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.9 -27.51 39.95 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.927 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -83.08 -57.58 3.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.011 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.09 -48.26 64.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.341 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -58.21 -49.85 75.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.1 -28.58 68.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.033 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.13 72.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.417 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 162.93 125.15 0.75 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.585 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.4 mt -70.83 150.51 95.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.532 0.206 . . . . 0.0 110.713 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -62.31 -78.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.443 2.095 . . . . 0.0 112.513 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -148.64 -68.81 0.22 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.832 0.349 . . . . 0.0 111.499 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.14 -42.93 73.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.332 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.32 -46.61 79.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.975 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.437 ' CE1' ' CB ' ' A' ' 58' ' ' SER . 25.1 t-80 -67.01 -45.38 77.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.23 -23.91 9.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.285 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 126' ' ' ALA . 2.4 t80 -90.57 -54.48 3.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.955 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.7 p -68.52 -9.7 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.437 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 16.2 t -120.89 -31.45 4.2 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.23 -9.78 16.01 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -122.34 -66.67 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.738 0.304 . . . . 0.0 111.712 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.61 150.01 0.36 Allowed Pre-proline 0 CA--C 1.53 0.185 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.933 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.01 160.25 50.69 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.779 2.319 . . . . 0.0 112.5 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -47.78 -39.93 19.47 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.179 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.4 t -57.14 -44.2 83.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.682 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.09 -33.09 75.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.466 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -74.65 -32.93 62.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.694 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -56.26 -45.36 80.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -72.35 -28.05 62.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -60.19 -55.65 31.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -74.12 -31.1 62.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.007 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -60.0 -56.49 21.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.4 pp -59.89 -32.62 70.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -77.14 -33.8 56.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.5 -35.26 62.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.027 0.441 . . . . 0.0 110.444 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -83.64 -25.7 30.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.674 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 86.7 m -73.81 -40.99 62.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.07 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -38.14 76.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.288 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.16 -25.47 55.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.26 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.42 HG22 ' HB3' ' A' ' 108' ' ' ASP . 11.4 p -79.76 -48.02 14.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.238 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.434 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 15.6 mt -53.18 -30.78 39.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 110.83 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -61.87 -33.73 74.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.452 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 59.9 mtm -67.28 -31.62 72.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.593 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.29 -30.08 65.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.822 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -92.23 44.73 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.483 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 86' ' ' GLN . 2.0 tmt? -130.46 -67.33 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.452 -179.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.422 ' CB ' HD12 ' A' ' 36' ' ' LEU . 53.2 tp60 -27.72 -45.39 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.007 0.432 . . . . 0.0 110.867 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.404 ' HB2' ' CG ' ' A' ' 104' ' ' GLU . 20.2 mt . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 120.706 0.289 . . . . 0.0 110.718 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -73.82 -38.17 2.49 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.568 2.179 . . . . 0.0 113.119 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.7 -8.8 57.97 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.404 ' CG ' ' HB2' ' A' ' 101' ' ' LEU . 1.3 mm-40 -48.76 -66.42 0.4 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.965 0.412 . . . . 0.0 111.199 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -51.43 -47.53 62.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.433 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.9 t -55.58 -69.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.618 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -51.43 -35.61 40.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.268 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.42 ' HB3' HG22 ' A' ' 79' ' ' THR . 10.8 m-20 -73.41 -36.76 66.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.033 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.403 ' CE ' ' HB ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -65.64 -57.49 8.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.771 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.68 -32.04 12.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.818 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -41.66 97.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.484 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.97 -39.17 71.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.069 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.19 -29.38 47.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.847 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 89.0 m -59.73 -36.84 77.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.069 0.462 . . . . 0.0 110.096 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -83.71 -42.69 16.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.481 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.417 ' CH2' ' HA2' ' A' ' 48' ' ' GLY . 50.9 m95 -65.54 -51.33 60.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.799 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.5 m -54.0 -46.59 71.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.605 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -60.92 -22.5 64.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.7 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 1.8 ttt -75.47 -54.0 7.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.053 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -48.69 -29.65 4.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.141 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.36 -44.63 14.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.902 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.52 -52.76 16.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.038 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.95 -41.76 71.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.816 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -57.78 -47.45 82.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.765 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -70.95 -37.42 72.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.777 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 56' ' ' PHE . . . -68.18 -37.36 80.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 6.1 ttm -58.92 -40.88 85.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 144.62 46.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.442 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 32.3 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 111.112 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.407 HG23 ' HB2' ' A' ' 35' ' ' GLN . 1.7 t . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 120.865 0.364 . . . . 0.0 111.473 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 91.6 p -65.35 -32.18 73.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.658 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.5 -30.95 69.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.363 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.407 ' HB2' HG23 ' A' ' 32' ' ' THR . 0.0 OUTLIER -81.87 -31.92 31.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.554 179.649 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -52.8 -48.47 66.89 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.229 0.538 . . . . 0.0 109.72 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 pp -76.05 -26.64 56.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.014 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.1 t -60.58 -33.52 72.84 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.318 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.429 ' CG1' ' HG2' ' A' ' 109' ' ' MET . 1.6 t -74.66 -47.77 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.387 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -26.18 66.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.328 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -70.55 -37.36 74.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.037 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -71.33 -31.02 66.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.211 -179.7 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.492 ' HG ' ' HG3' ' A' ' 109' ' ' MET . 0.3 OUTLIER -84.45 -56.27 3.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.773 0.32 . . . . 0.0 110.6 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.53 -30.15 1.37 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.576 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -78.69 -63.16 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.068 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.9 t -59.24 -41.17 88.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.036 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.89 80.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.02 149.29 11.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.523 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.409 ' CD1' ' CB ' ' A' ' 53' ' ' GLN . 1.7 mm? -105.03 126.93 29.77 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.547 0.213 . . . . 0.0 110.743 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -64.03 -85.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.378 2.052 . . . . 0.0 112.43 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.22 -77.08 0.16 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.695 0.283 . . . . 0.0 111.283 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -58.44 -35.97 72.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.214 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.409 ' CB ' ' CD1' ' A' ' 49' ' ' LEU . 80.9 mt-30 -56.34 -30.66 62.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.062 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.445 ' CE1' ' CB ' ' A' ' 58' ' ' SER . 28.9 t-80 -89.86 -37.52 14.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -57.2 -21.52 34.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.293 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -96.15 -59.59 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 0.0 111.034 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.8 p -59.86 -13.8 5.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.445 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 31.0 t -118.77 -32.4 4.54 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.4 -9.86 17.3 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -178.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -123.52 -65.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.756 0.313 . . . . 0.0 111.677 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.51 150.33 0.34 Allowed Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.974 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.28 160.41 49.95 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.861 2.374 . . . . 0.0 112.38 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -45.4 -41.16 8.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.277 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -33.03 64.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.045 0.45 . . . . 0.0 110.69 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.96 -31.29 27.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.591 179.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.19 -51.33 11.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.413 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -60.35 -35.26 75.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.651 0.262 . . . . 0.0 110.891 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 ptt85 -74.08 -30.5 62.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.887 0.375 . . . . 0.0 110.638 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -55.51 -44.95 77.07 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.728 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.54 -25.13 56.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.002 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -59.74 -62.45 1.87 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.896 0.379 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.412 ' CD1' ' NE1' ' A' ' 116' ' ' TRP . 4.4 pp -57.17 -36.68 71.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -72.83 -34.13 66.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.6 m -53.54 -34.39 58.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.006 0.431 . . . . 0.0 110.23 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -77.7 -31.82 52.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.388 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.403 ' CG2' HD11 ' A' ' 43' ' ' LEU . 40.5 m -73.22 -37.2 66.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.193 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -74.92 -22.54 58.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.541 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.49 -30.35 12.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.644 0.259 . . . . 0.0 111.424 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.2 t -67.95 -46.25 71.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 111.087 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.412 HD22 ' HB3' ' A' ' 43' ' ' LEU . 9.7 mt -56.44 -42.6 78.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -54.61 -51.84 64.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.03 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 56.5 mtm -59.18 -27.86 66.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.966 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.65 -42.78 70.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.975 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -91.34 48.96 1.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.19 -43.51 1.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.285 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -50.48 -27.85 7.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.94 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.4 m80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 111.009 -179.77 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.422 HD12 ' CE1' ' A' ' 103' ' ' HIS . 1.3 mt . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.632 0.253 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.76 -24.05 22.31 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.64 2.227 . . . . 0.0 112.739 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.422 ' CE1' HD12 ' A' ' 101' ' ' LEU . 3.7 p-80 -78.55 -22.09 47.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.389 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -53.82 -54.64 35.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.82 0.343 . . . . 0.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -59.96 -30.06 68.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.803 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.0 t -67.28 -57.67 9.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.962 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -58.39 -33.99 70.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.23 -28.41 59.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.492 ' HG3' ' HG ' ' A' ' 43' ' ' LEU . 4.5 tpp -59.12 -58.19 9.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.008 0.432 . . . . 0.0 110.687 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -23.8 67.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.632 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.1 t -60.69 -40.88 93.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.063 0.459 . . . . 0.0 110.468 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.443 ' HB2' ' CD1' ' A' ' 43' ' ' LEU . . . -66.64 -35.92 81.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.564 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -63.5 -33.8 63.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.563 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 13.8 p -58.84 -51.66 69.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.106 0.479 . . . . 0.0 109.78 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -70.62 -48.29 55.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.364 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.412 ' NE1' ' CD1' ' A' ' 72' ' ' LEU . 26.2 m95 -58.64 -57.13 14.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.841 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.9 p -52.96 -45.66 67.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.048 0.451 . . . . 0.0 110.473 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.22 -32.22 72.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.418 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 4.8 ttt -70.85 -38.62 73.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.65 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -52.9 -41.1 64.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.779 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -81.26 -33.95 32.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.998 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.96 -59.33 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.329 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.56 -43.52 62.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -59.49 -49.61 77.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.841 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.33 -34.99 79.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.37 -42.73 58.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 14.0 ttm -52.88 -31.71 41.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.065 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 135.37 43.52 0.11 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.6 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 23.1 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 111.155 179.901 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.2 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.84 0.352 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.5 m -63.46 -39.23 93.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.497 179.536 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.48 -30.63 71.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.238 179.447 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -39.27 77.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.457 179.571 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -52.97 -49.99 65.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.053 179.314 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.514 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 3.0 pp -81.15 -16.3 53.36 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.791 179.24 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.8 t -69.41 -27.5 65.33 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.848 0.356 . . . . 0.0 110.687 179.533 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.5 t -89.18 -35.82 8.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -67.36 -25.43 65.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 110.493 179.636 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -81.0 -41.39 22.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.643 179.678 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -73.19 -35.94 66.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.111 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.17 -55.72 5.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.836 -179.779 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.403 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -53.36 -34.52 57.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.037 179.81 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -61.91 -42.67 99.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.721 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.8 m -94.2 13.41 23.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.389 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -108.66 72.75 0.84 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.884 0.373 . . . . 0.0 111.099 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.415 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 162.92 115.37 0.34 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.602 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.413 ' CD1' HG13 ' A' ' 57' ' ' VAL . 91.9 mt -64.35 141.03 98.1 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.487 0.184 . . . . 0.0 110.696 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.5 -76.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.409 2.073 . . . . 0.0 112.677 -179.578 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -148.54 -70.66 0.21 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.861 0.362 . . . . 0.0 111.431 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.96 -38.86 73.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.186 -179.541 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -55.75 -44.27 77.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.007 -179.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -71.41 -47.02 58.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.202 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.27 -23.54 9.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.518 -179.734 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.423 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 3.0 t80 -90.74 -53.29 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 0.0 111.069 -179.771 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.413 HG13 ' CD1' ' A' ' 49' ' ' LEU . 12.5 p -67.03 -9.77 10.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -179.175 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 m -122.49 -35.81 3.03 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.103 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.3 -9.79 21.96 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -178.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -124.02 -67.75 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.723 0.297 . . . . 0.0 111.75 -179.369 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.47 150.02 0.29 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.058 -179.331 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.91 160.34 46.19 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.834 2.356 . . . . 0.0 112.392 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -47.25 -32.59 4.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.0 t -61.06 -46.97 88.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.684 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.75 -31.94 72.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.596 179.772 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -72.01 -32.98 67.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.717 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -58.77 -50.06 75.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -66.62 -31.13 71.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.722 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -60.0 -52.93 63.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.775 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -71.11 -30.01 65.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.31 -61.75 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.4 ' CD1' ' NE1' ' A' ' 116' ' ' TRP . 4.2 pp -55.72 -36.23 66.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -78.46 -27.83 46.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -42.84 65.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.943 0.401 . . . . 0.0 110.564 179.707 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -76.96 -35.76 57.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.5 179.589 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 86.2 m -58.33 -44.16 88.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.058 179.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -63.82 -53.66 47.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.375 -179.713 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.61 -32.44 74.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.502 -179.505 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.414 HG22 ' CB ' ' A' ' 108' ' ' ASP . 11.0 p -64.67 -52.71 55.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 110.979 -179.885 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 40' ' ' ARG . 71.3 mt -54.6 -34.26 61.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.791 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -71.01 -35.71 72.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.641 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 39.3 mtp -73.67 -29.24 62.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.781 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.407 ' CB ' ' CE ' ' A' ' 109' ' ' MET . . . -85.63 -27.8 25.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -94.22 22.48 5.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.6 tpp -130.4 -30.77 1.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.728 -179.618 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -43.83 -29.12 0.5 Allowed 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.403 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.946 0.403 . . . . 0.0 110.458 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.474 ' CD1' ' CE1' ' A' ' 103' ' ' HIS . 0.9 OUTLIER . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.639 0.257 . . . . 0.0 110.982 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -51.55 -23.1 13.96 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.684 2.256 . . . . 0.0 112.81 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.474 ' CE1' ' CD1' ' A' ' 101' ' ' LEU . 10.4 p80 -87.26 -23.0 24.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.39 -179.587 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -51.34 -41.39 60.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.945 0.403 . . . . 0.0 110.844 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -73.57 -41.31 63.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.791 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 32.2 t -56.75 -67.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.569 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -49.67 -45.1 48.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.477 -179.543 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.414 ' CB ' HG22 ' A' ' 79' ' ' THR . 1.1 m-20 -67.2 -29.01 68.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.233 -179.726 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.413 ' HE3' ' HB3' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -64.1 -63.4 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.925 -179.932 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.37 -29.73 4.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.803 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.58 -36.38 83.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.376 179.525 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.796 179.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -30.3 48.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.733 179.865 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 87.0 m -60.05 -35.67 75.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.014 0.435 . . . . 0.0 110.259 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -86.62 -43.01 12.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.471 179.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.415 ' CH2' ' N ' ' A' ' 48' ' ' GLY . 47.9 m95 -64.51 -50.91 65.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.449 179.618 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.0 t -56.76 -50.42 72.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.219 179.38 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -60.19 -33.56 72.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.382 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.407 ' O ' ' N ' ' A' ' 123' ' ' LEU . 2.8 ttt -68.77 -38.53 80.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.558 179.704 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 16.6 ttm-85 -52.05 -42.73 63.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.694 179.739 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -81.72 -38.46 25.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.091 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.88 -59.9 2.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.27 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.423 ' HG ' ' CD2' ' A' ' 56' ' ' PHE . 2.9 tp -51.32 -44.15 61.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.078 -179.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.98 -41.32 78.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -70.49 -51.6 27.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.13 -33.91 71.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.178 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 14.2 ttm -59.44 -42.97 93.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 139.66 42.97 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.532 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 18.6 mt . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 111.035 179.97 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.785 0.326 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.58 -37.5 68.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.51 -38.77 88.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -66.45 -42.71 87.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.746 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.93 -49.64 65.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.032 0.444 . . . . 0.0 109.992 179.333 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.46 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 2.0 pp -81.52 -17.69 47.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.109 179.416 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.9 t -66.34 -30.78 71.26 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.78 0.324 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 m -89.64 -36.5 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.286 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.464 ' N ' ' HE2' ' A' ' 109' ' ' MET . 0.0 OUTLIER -66.59 -25.69 66.74 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.422 179.929 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -85.17 -34.18 22.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.443 179.455 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -37.2 29.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.197 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.86 -50.64 19.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.007 -179.622 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.97 -47.2 68.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.138 179.9 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.03 -49.27 77.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -70.02 -29.09 66.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.95 69.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 173.65 132.54 1.55 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.533 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.1 mt -74.25 151.0 87.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 0.0 110.944 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -61.28 -83.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.555 2.17 . . . . 0.0 112.462 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.22 -67.69 0.24 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.781 0.324 . . . . 0.0 111.283 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -67.21 -30.54 70.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.235 -179.588 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -40.31 68.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.178 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.423 ' HA ' HG12 ' A' ' 57' ' ' VAL . 27.8 t-80 -73.92 -37.53 64.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -58.55 -19.9 41.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.727 -179.52 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.421 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 2.6 t80 -97.59 -59.33 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 111.146 -179.533 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 54' ' ' HIS . 12.8 p -57.91 -15.8 5.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.155 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -116.33 -37.2 3.82 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.18 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.8 -9.78 23.92 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.938 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -125.52 -67.17 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.315 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.59 150.16 0.29 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.133 -179.289 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.29 160.29 42.38 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.796 2.331 . . . . 0.0 112.519 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -48.21 -32.85 7.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.189 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.8 p -57.5 -46.81 83.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.004 0.43 . . . . 0.0 110.752 179.824 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.06 -28.66 60.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.772 179.79 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -73.15 -50.65 21.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.655 -179.507 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 68' ' ' ARG . 31.7 p30 -58.25 -34.35 70.36 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.265 -179.432 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.493 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -74.45 -31.27 62.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.961 0.41 . . . . 0.0 110.526 179.462 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -59.41 -45.34 91.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.729 179.743 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -74.85 -29.02 60.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -59.41 -60.07 4.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.406 ' CD1' ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -56.96 -38.49 73.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.406 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 6.1 t80 -72.83 -29.8 63.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.74 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.2 t -54.29 -39.34 66.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.032 0.444 . . . . 0.0 110.383 179.608 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -78.98 -26.6 43.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.644 179.446 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 90.3 m -70.8 -33.26 70.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -76.0 -34.73 59.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.351 -179.674 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -30.52 25.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.451 -179.599 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.8 t -69.6 -42.13 74.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 110.92 -179.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 46.9 mt -57.37 -45.45 84.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.64 -49.46 77.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.744 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.6 mtm -56.8 -24.42 50.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.121 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.421 ' HB2' ' HE3' ' A' ' 109' ' ' MET . . . -76.74 -43.93 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.191 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.446 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 1.2 t0 -86.33 46.34 1.33 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -130.49 -46.57 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.984 0.421 . . . . 0.0 111.005 179.839 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -24.91 7.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.766 -179.631 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.446 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 18.1 m80 . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 120.899 0.38 . . . . 0.0 111.01 -179.78 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 120.69 0.281 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.2 -8.9 24.74 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.581 2.187 . . . . 0.0 112.896 -179.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -108.22 -9.09 15.58 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -54.47 -55.55 27.81 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.934 0.397 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -58.69 -46.98 86.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.694 179.824 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.7 t -57.68 -56.65 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.279 179.823 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -58.72 -44.42 90.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.42 -26.09 66.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.464 ' HE2' ' N ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -67.92 -60.69 2.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.925 -179.87 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -50.77 -27.33 7.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.741 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.8 t -67.18 -36.59 82.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.433 179.459 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.02 -44.99 95.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.827 179.7 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -29.05 46.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.848 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 85.1 m -60.5 -36.59 78.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.999 0.428 . . . . 0.0 110.361 179.684 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -86.91 -42.25 13.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.54 179.595 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -65.47 -49.58 68.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.473 179.71 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.1 t -58.78 -51.24 70.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.288 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -58.58 -33.03 69.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.331 179.466 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.8 ttt -67.29 -42.02 84.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.627 179.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -50.27 -41.12 49.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.782 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -82.21 -37.17 26.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.022 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.21 -58.93 3.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.234 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.95 -45.47 64.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -60.34 -42.66 96.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -67.82 -46.86 70.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.808 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.12 99.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.421 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 11.0 ttm -57.48 -30.22 64.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 129.87 42.52 0.22 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.694 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 24.2 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 111.15 179.832 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.9 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.844 0.354 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.98 -39.78 90.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.706 179.805 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 m -67.43 -32.08 72.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.353 179.589 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.477 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 15.1 tp60 -68.93 -40.37 79.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.435 179.599 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -52.95 -49.5 65.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.152 179.379 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.449 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 2.9 pp -81.24 -17.38 49.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.118 179.748 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.477 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 18.9 m -69.39 -28.08 65.85 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.871 0.367 . . . . 0.0 110.678 179.725 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.588 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . 19.9 t -87.37 -39.55 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.449 ' CG ' ' HA ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -67.51 -23.49 65.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.513 179.519 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -80.04 -37.66 33.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.914 179.41 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.588 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 5.8 pt20 -80.23 -36.58 34.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.753 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.406 ' HB3' HD23 ' A' ' 80' ' ' LEU . 1.2 tm? -74.1 -58.41 3.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.176 -179.509 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.412 ' N ' HD23 ' A' ' 80' ' ' LEU . . . -50.09 -48.64 53.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.606 -179.776 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -58.08 -50.64 72.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.144 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -28.04 66.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.23 -179.708 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.79 73.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.33 -179.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.418 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 162.9 139.94 2.75 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.696 179.889 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.4 mt -85.1 146.58 45.73 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.605 0.241 . . . . 0.0 110.702 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -61.63 -81.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.406 2.07 . . . . 0.0 112.273 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.25 -67.61 0.24 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.834 0.349 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.91 -37.44 74.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 -179.821 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -44.45 84.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.968 -179.892 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.44 ' CE1' ' CB ' ' A' ' 58' ' ' SER . 23.1 t-80 -67.87 -43.27 79.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -53.31 -23.29 8.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.584 -179.667 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.427 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 2.0 t80 -92.1 -52.77 4.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 111.097 -179.683 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.6 p -68.38 -9.7 11.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -179.089 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.44 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 2.0 m -122.11 -28.77 4.33 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.094 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.19 -9.85 17.47 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -178.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -128.86 -60.81 1.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.765 -179.384 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.16 149.85 0.42 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.988 -179.325 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.17 160.32 50.0 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.753 2.302 . . . . 0.0 112.412 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -47.36 -41.39 19.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.284 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.0 -34.07 63.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.752 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.402 ' HA ' ' HG2' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -80.95 -29.49 35.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.886 179.829 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -77.08 -53.21 8.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.51 -179.696 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -58.47 -34.68 71.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.657 0.265 . . . . 0.0 111.022 -179.648 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.402 ' HG2' ' HA ' ' A' ' 65' ' ' LEU . 1.3 ptm180 -74.07 -30.32 62.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.967 0.413 . . . . 0.0 110.44 179.474 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -56.03 -58.43 7.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.961 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -67.96 -26.44 65.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.48 -62.24 2.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.401 ' CD1' ' N ' ' A' ' 73' ' ' TYR . 4.0 pp -57.38 -31.45 65.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.401 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 4.8 t80 -75.56 -31.37 60.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.805 179.923 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.47 -40.88 72.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.004 0.43 . . . . 0.0 110.38 179.58 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.439 ' CE1' ' NH2' ' A' ' 78' ' ' ARG . 2.0 t60 -79.12 -23.1 44.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.655 179.426 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.403 ' CG2' ' CD1' ' A' ' 43' ' ' LEU . 39.2 m -78.1 -33.82 50.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -77.0 -26.52 53.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.13 -179.767 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.439 ' NH2' ' CE1' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -90.64 -28.79 18.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.39 -179.72 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.6 t -73.1 -46.91 48.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.312 . . . . 0.0 110.967 -179.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.427 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 17.8 mt -55.92 -31.55 63.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.7 -53.55 57.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.998 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 69.9 mtm -54.67 -41.99 70.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.32 -63.15 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.445 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 7.2 t70 -87.37 62.08 6.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.8 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.6 tpt -126.1 -55.58 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 87' ' ' HIS . 36.2 tt0 -67.45 -86.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.033 -179.855 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 86' ' ' GLN . 40.4 m80 . . . . . 0 N--CA 1.469 0.507 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 CA--C 1.528 0.116 0 CA-C-O 120.678 0.275 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -56.9 -23.53 51.63 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.66 2.24 . . . . 0.0 112.804 -179.743 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -80.5 -8.97 59.77 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.485 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -71.61 -33.69 69.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.914 0.388 . . . . 0.0 110.78 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -79.21 -46.15 18.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.229 -179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 16.5 m -58.1 -46.32 88.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.429 -179.515 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -42.33 98.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.767 -179.883 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -74.39 -29.29 61.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -56.51 7.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.64 179.834 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -52.97 -31.04 38.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.674 179.737 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.7 m -64.85 -35.53 81.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.47 179.464 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.59 92.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.711 179.615 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -62.27 -28.4 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 179.842 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 88.9 m -60.95 -36.53 79.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.948 0.404 . . . . 0.0 110.165 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -85.23 -43.39 13.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.422 179.497 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.418 ' CH2' ' HA2' ' A' ' 48' ' ' GLY . 71.1 m95 -64.96 -50.7 65.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.507 179.564 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.9 t -57.24 -50.89 71.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.296 179.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.34 -30.89 65.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.201 179.195 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.1 ttt -70.5 -38.88 74.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.473 179.518 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.2 -41.17 60.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.688 179.683 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -82.99 -41.14 19.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.926 179.788 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.82 -59.2 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.427 ' HG ' ' CD2' ' A' ' 56' ' ' PHE . 3.0 tp -52.35 -45.46 65.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -60.9 -47.98 83.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -62.96 -42.22 99.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.76 -37.54 79.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.157 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.423 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 8.0 ttm -59.56 -35.07 73.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 138.71 42.79 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.688 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.77 0.319 . . . . 0.0 111.073 179.93 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.857 0.36 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.18 -36.73 85.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.569 179.713 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.3 m -64.68 -31.59 72.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.417 179.671 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -75.06 -38.04 61.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.521 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.95 -48.17 67.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.057 0.456 . . . . 0.0 110.051 179.35 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.439 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 2.7 pp -81.02 -18.86 45.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.706 179.27 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.2 t -66.82 -27.28 67.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.871 0.367 . . . . 0.0 110.577 179.571 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.3 t -88.74 -40.39 13.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -65.36 -27.81 68.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.364 179.631 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -76.62 -41.19 46.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.412 179.538 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -77.4 -29.89 53.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.426 ' CD1' ' CG2' ' A' ' 76' ' ' THR . 1.4 tm? -80.68 -57.46 3.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.043 -179.831 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.426 ' N ' HD23 ' A' ' 80' ' ' LEU . . . -51.1 -50.36 58.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.465 -179.893 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -56.42 -47.86 78.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.01 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 t -67.64 -26.52 66.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.44 79.6 9.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.454 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 170.84 133.33 1.6 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.591 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.406 ' N ' ' CD2' ' A' ' 49' ' ' LEU . 3.0 mm? -85.73 129.7 53.68 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.472 0.177 . . . . 0.0 110.684 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.81 -75.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.308 2.005 . . . . 0.0 112.476 -179.762 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.57 -80.73 0.13 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.802 0.334 . . . . 0.0 111.476 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -54.95 -40.98 70.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.513 -179.447 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -52.82 -30.29 32.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.137 -179.809 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.405 ' HA ' ' CG1' ' A' ' 57' ' ' VAL . 29.1 t-80 -90.01 -34.47 15.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.002 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.89 -18.05 58.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.488 -179.74 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -100.05 -47.45 4.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 111.103 -179.74 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.405 ' CG1' ' HA ' ' A' ' 54' ' ' HIS . 14.6 p -66.56 -10.12 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.256 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.1 t -122.73 -43.06 2.28 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -179.576 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.86 -10.01 56.05 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.148 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -127.84 -58.74 1.22 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.783 0.325 . . . . 0.0 111.474 -179.735 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.48 149.87 1.3 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.692 -179.597 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -74.02 160.24 43.25 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.752 2.301 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.39 -29.44 2.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.215 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.4 m -62.76 -42.77 99.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.693 179.792 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.21 -32.21 68.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.664 179.782 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -76.03 -32.92 59.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 179.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -59.13 -47.04 86.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.761 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -71.01 -27.83 63.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -57.67 -63.34 1.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -67.84 -29.4 68.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 -179.803 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -62.05 -63.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.07 -179.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.401 ' CD1' ' N ' ' A' ' 73' ' ' TYR . 4.3 pp -58.92 -40.63 85.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.055 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.401 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 5.3 t80 -71.3 -30.31 66.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.074 -179.888 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.57 -42.5 71.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.942 0.401 . . . . 0.0 110.62 179.793 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -78.0 -23.2 48.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.822 179.603 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.426 ' CG2' ' CD1' ' A' ' 43' ' ' LEU . 89.6 m -78.3 -31.78 49.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -77.08 -27.96 54.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 -179.721 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.43 -33.22 16.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.287 -179.723 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.2 t -67.1 -45.15 78.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.086 -179.75 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.428 HD21 ' HA ' ' A' ' 40' ' ' ARG . 21.2 mt -56.87 -37.91 71.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 -179.856 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -57.96 -41.2 82.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.053 -179.888 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 77.4 mtm -61.06 -26.61 67.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.033 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.427 ' O ' ' CE1' ' A' ' 87' ' ' HIS . . . -74.07 -26.17 60.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.411 -179.829 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.06 39.2 1.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.103 -179.843 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.2 mtm -130.57 -47.34 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.428 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.18 -68.67 0.18 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.114 -179.27 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.427 ' CE1' ' O ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.465 0.321 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.281 -179.489 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.569 0.223 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.71 -18.97 13.27 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.632 2.222 . . . . 0.0 113.067 -179.481 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.411 ' O ' HG22 ' A' ' 106' ' ' VAL . 8.2 p-80 -87.7 -8.67 55.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.621 0.248 . . . . 0.0 111.517 -179.728 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.65 -35.67 79.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.84 0.352 . . . . 0.0 110.8 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -78.47 -49.28 13.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 103' ' ' HIS . 19.8 m -56.1 -41.58 69.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.908 0.385 . . . . 0.0 111.117 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -61.18 -46.66 89.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -72.23 -28.58 63.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.798 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -65.38 0.68 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.715 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.98 -31.55 5.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 179.857 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.5 m -60.53 -38.62 85.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.381 179.477 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.76 -39.92 82.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.901 179.672 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -61.33 -32.96 54.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 12.3 p -57.98 -52.31 66.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.048 0.451 . . . . 0.0 110.03 179.516 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -72.4 -46.44 55.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.422 179.316 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.454 ' CH2' ' N ' ' A' ' 48' ' ' GLY . 34.0 m95 -58.93 -54.8 43.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.933 179.838 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.1 t -51.01 -42.99 60.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.004 0.43 . . . . 0.0 110.602 179.775 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -63.43 -35.76 81.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.511 179.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.2 ttt -74.75 -33.68 62.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.763 179.833 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -53.02 -42.81 66.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -81.27 -33.94 32.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.8 -59.74 2.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.296 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.97 -46.62 61.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -58.87 -39.82 82.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -70.92 -54.59 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.202 -179.734 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.17 -39.0 77.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.333 -179.724 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 7.7 ttm -56.54 -45.3 81.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 145.49 40.01 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.6 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 6.7 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.951 179.962 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.2 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.749 0.309 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.5 p -53.53 -35.71 60.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.821 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -72.43 -27.86 62.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.809 179.778 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.424 ' HA ' ' HB3' ' A' ' 38' ' ' SER . 64.7 tp60 -69.7 -48.24 60.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.406 ' CD1' ' CB ' ' A' ' 86' ' ' GLN . 88.5 mt -52.92 -45.67 67.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.256 179.562 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 pp -81.24 -23.84 37.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.634 179.125 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.424 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 13.2 t -61.08 -34.35 74.77 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.909 0.385 . . . . 0.0 110.685 179.762 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.1 m -83.36 -36.57 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.184 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.45 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -64.66 -26.8 68.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.904 0.383 . . . . 0.0 110.082 179.511 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -81.99 -37.03 27.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.643 179.549 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -80.36 -36.44 34.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.25 -179.807 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.425 ' HB3' HD22 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -73.88 -63.67 1.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.734 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.407 ' N ' HD22 ' A' ' 80' ' ' LEU . . . -47.54 -45.18 26.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.548 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -57.27 -52.72 64.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.5 m -65.4 -31.54 72.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 48' ' ' GLY . . . -71.16 -165.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.462 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 34.02 100.84 0.01 OUTLIER Glycine 0 C--N 1.333 0.395 0 CA-C-N 115.845 -0.616 . . . . 0.0 114.0 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.426 HD13 ' CE1' ' A' ' 69' ' ' TYR . 34.1 mt -48.96 153.39 1.53 Allowed Pre-proline 0 C--N 1.331 -0.211 0 CA-C-O 120.744 0.307 . . . . 0.0 111.112 179.786 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -61.91 -80.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.526 2.151 . . . . 0.0 112.406 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.17 -69.15 0.23 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.857 0.36 . . . . 0.0 111.177 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -55.63 -39.35 70.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 -179.73 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.37 -42.41 73.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.066 -179.849 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -68.06 -41.11 82.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.955 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.93 -21.03 26.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.468 -179.682 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.41 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 4.0 t80 -95.91 -51.96 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.222 -179.635 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.3 p -67.51 -9.8 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.053 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.09 -31.28 3.37 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -179.097 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.69 -9.79 21.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.796 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -131.67 -62.34 0.87 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.342 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -37.41 151.73 0.13 Allowed Pre-proline 0 N--CA 1.464 0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.234 -179.307 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.18 160.26 49.59 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.938 2.425 . . . . 0.0 112.571 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.2 -46.33 23.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.353 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.97 -31.9 61.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.954 0.407 . . . . 0.0 110.797 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.3 -31.66 26.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.732 179.779 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.18 -52.97 8.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.403 -179.804 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -57.96 -39.97 79.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.296 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -69.74 -29.7 67.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.87 0.367 . . . . 0.0 110.816 179.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.426 ' CE1' HD13 ' A' ' 49' ' ' LEU . 86.6 t80 -58.06 -68.73 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.064 -179.884 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -56.99 -25.03 57.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.216 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.66 -64.08 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.255 -179.784 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.403 HD11 ' NE1' ' A' ' 116' ' ' TRP . 3.4 pp -54.75 -28.43 48.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.325 -179.655 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.419 ' CE2' ' HG3' ' A' ' 77' ' ' GLN . 5.7 t80 -83.15 -34.66 25.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.926 179.814 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.82 -44.38 28.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.013 0.435 . . . . 0.0 110.582 179.732 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.61 -39.04 58.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.194 179.305 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 99.1 m -59.52 -50.05 75.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.948 179.73 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.419 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 2.2 mt-30 -59.49 -32.38 70.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.002 -179.702 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.05 -36.32 23.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.011 -179.808 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.5 p -60.84 -47.51 86.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.154 -179.737 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.45 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 3.9 mt -56.75 -31.61 64.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.372 . . . . 0.0 110.499 179.83 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 85' ' ' MET . 0.3 OUTLIER -57.79 -60.27 3.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.385 179.573 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 59.1 mtm -53.93 -24.18 15.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.811 179.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.92 -45.43 67.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.331 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.418 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 2.8 t0 -94.67 53.92 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.597 -179.52 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.41 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 39.8 mtt -130.18 -47.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.013 0.435 . . . . 0.0 110.767 179.505 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.406 ' CB ' ' CD1' ' A' ' 36' ' ' LEU . 11.6 tp60 -48.51 -29.91 4.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.262 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.418 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 7.2 m80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.652 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 3.4 mt . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 120.5 0.19 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 101' ' ' LEU . 33.2 Cg_exo -57.89 -19.84 41.47 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.381 2.054 . . . . 0.0 112.52 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -100.88 -8.79 22.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.621 -179.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.51 -32.68 3.51 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.875 0.369 . . . . 0.0 111.207 -179.844 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -79.21 -58.99 2.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.38 -179.716 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.8 m -55.25 -48.41 76.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.484 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -61.54 -57.18 13.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.969 0.414 . . . . 0.0 110.78 -179.826 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -60.87 -19.48 60.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.006 179.797 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.422 ' HE2' ' N ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -67.88 -59.52 3.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.867 0.365 . . . . 0.0 110.696 179.842 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.82 -27.12 11.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.714 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.1 t -67.04 -39.64 86.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.396 179.52 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.42 -44.58 96.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.978 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.402 ' O ' ' CB ' ' A' ' 117' ' ' SER . 0.6 OUTLIER -62.75 -27.96 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.898 179.91 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 75.8 m -60.51 -40.39 91.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.008 0.432 . . . . 0.0 110.135 179.553 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.75 -41.31 17.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.737 179.51 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.462 ' CH2' ' N ' ' A' ' 48' ' ' GLY . 51.3 m95 -67.9 -43.44 79.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 113' ' ' ILE . 72.9 m -57.76 -48.94 78.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.043 0.449 . . . . 0.0 110.068 179.316 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -59.02 -32.57 69.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.155 179.191 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 1.7 ttt -71.32 -36.56 71.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.591 179.667 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -48.74 60.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.794 179.764 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -83.51 -42.26 17.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.057 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.65 -59.92 4.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.292 -179.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.41 ' HG ' ' CD2' ' A' ' 56' ' ' PHE . 4.9 tp -55.45 -42.71 74.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.211 -179.835 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -58.74 -50.6 73.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.361 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -61.82 -45.25 94.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.54 -34.94 78.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 25.0 ttm -57.53 -30.52 65.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 128.87 35.63 0.47 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.621 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 23.3 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 111.052 179.946 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.854 0.359 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.5 p -72.38 -35.7 68.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.656 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.9 m -65.93 -31.42 72.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.69 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -79.29 -36.11 40.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.662 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -53.93 -46.47 71.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.986 0.422 . . . . 0.0 110.211 179.532 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.506 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 3.4 pp -78.61 -18.35 54.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.643 179.237 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -70.19 -28.41 65.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.801 0.334 . . . . 0.0 110.719 179.758 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.424 HG11 ' N ' ' A' ' 40' ' ' ARG . 9.9 p -88.15 -29.97 5.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.173 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -75.26 -26.71 59.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 110.253 179.556 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.41 ' CD2' ' O ' ' A' ' 37' ' ' LEU . 48.7 m-70 -78.13 -35.74 48.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.94 179.088 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -77.67 -34.59 52.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.714 179.601 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -78.8 -54.12 6.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.817 -179.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.21 -45.38 72.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.262 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -57.54 -55.45 34.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 m -60.58 -29.24 69.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.783 179.799 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.432 ' HA ' ' CE2' ' A' ' 116' ' ' TRP . . . -77.21 68.18 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.46 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . -176.75 128.19 1.31 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.428 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.4 HD22 ' CE2' ' A' ' 69' ' ' TYR . 2.9 mm? -79.86 137.7 54.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.57 0.224 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.58 -78.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.495 2.13 . . . . 0.0 112.338 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.17 -70.41 0.22 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.856 0.36 . . . . 0.0 111.18 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -61.66 -31.26 71.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.244 -179.726 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -57.6 -36.2 71.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.019 -179.877 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -83.88 -38.71 20.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -19.18 50.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.388 -179.843 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.444 ' CE2' HD13 ' A' ' 123' ' ' LEU . 0.8 OUTLIER -98.0 -49.89 4.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.753 0.311 . . . . 0.0 111.022 -179.756 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.5 p -69.37 -9.85 12.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.133 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 t -123.02 -35.48 3.0 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -179.196 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.44 -9.84 31.53 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.881 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -130.36 -59.91 1.02 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.769 0.319 . . . . 0.0 111.798 -179.494 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.49 149.97 0.55 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.903 -179.402 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.15 160.24 49.69 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.796 2.331 . . . . 0.0 112.351 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 -50.64 -29.38 10.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.08 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -44.3 97.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.6 179.795 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.59 -32.14 70.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.581 179.816 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -74.97 -32.91 61.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.67 179.749 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -58.45 -45.44 88.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.725 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -74.09 -27.36 60.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.831 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.4 ' CE2' HD22 ' A' ' 49' ' ' LEU . 13.4 t80 -55.95 -54.95 38.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.958 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -75.12 -31.94 61.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.9 -59.22 5.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.992 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.409 ' CD1' ' NE1' ' A' ' 116' ' ' TRP . 4.1 pp -57.1 -34.42 68.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -79.19 -27.63 42.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.981 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.01 -47.61 71.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.959 0.409 . . . . 0.0 110.793 179.823 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -74.79 -31.93 61.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.538 179.579 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 53.0 m -63.15 -46.41 87.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 78' ' ' ARG . 1.2 pt20 -63.84 -31.64 72.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.961 -179.876 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.423 ' N ' ' HG3' ' A' ' 77' ' ' GLN . 0.1 OUTLIER -79.86 -51.38 9.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.509 179.837 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.9 p -52.93 -33.18 49.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.423 HD21 ' HA ' ' A' ' 40' ' ' ARG . 43.3 mt -72.08 -30.54 65.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.602 179.654 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.32 -50.6 67.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.624 179.799 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.5 mtp -55.87 -29.41 59.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.658 179.677 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.53 -44.31 96.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.416 179.373 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.488 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -88.96 48.83 1.68 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.544 179.439 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -130.28 -40.22 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.156 -179.68 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.412 ' HG3' ' HG3' ' A' ' 102' ' ' PRO . 0.9 OUTLIER -60.59 -23.86 65.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.504 -179.765 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.488 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 21.7 m80 . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.807 0.337 . . . . 0.0 111.451 -179.543 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.529 0.173 0 CA-C-O 120.668 0.27 . . . . 0.0 110.733 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.412 ' HG3' ' HG3' ' A' ' 86' ' ' GLN . 85.8 Cg_exo -51.81 -38.98 68.44 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.199 2.599 . . . . 0.0 113.932 -178.647 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.12 -18.66 37.64 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.237 -179.704 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.3 -46.42 90.36 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.846 0.355 . . . . 0.0 110.606 179.713 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -74.65 -30.89 61.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.807 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 41.9 t -63.19 -66.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.22 -39.77 60.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -67.38 -35.23 78.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -43.8 98.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.316 179.682 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -60.56 -29.06 68.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.295 179.435 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.0 t -59.66 -44.46 93.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.342 179.526 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.99 -37.23 73.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.878 179.62 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -62.99 -32.06 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 8.2 p -59.11 -52.9 63.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.102 0.477 . . . . 0.0 109.86 179.402 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -48.39 56.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.147 179.145 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.46 ' CH2' ' N ' ' A' ' 48' ' ' GLY . 31.9 m95 -56.86 -56.15 25.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.818 179.599 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 70.2 m -51.72 -43.15 62.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.987 0.422 . . . . 0.0 110.555 179.615 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -61.54 -32.54 72.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.34 179.497 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.9 ttm -71.51 -35.45 70.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.626 179.74 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -53.67 -46.07 70.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.689 179.786 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -85.94 -39.06 17.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.71 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.94 -58.49 6.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.171 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.444 HD13 ' CE2' ' A' ' 56' ' ' PHE . 5.9 tp -57.63 -45.4 85.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -58.34 -42.2 86.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.827 179.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -69.36 -53.99 16.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.009 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.75 -34.27 65.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.4 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 26.0 ttm -65.73 -31.37 72.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.763 179.865 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 123.92 41.73 0.4 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.314 -179.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 27.6 mt . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.341 . . . . 0.0 111.205 -179.89 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.461 0.087 0 CA-C-O 120.819 0.342 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 p -57.46 -32.12 66.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 p -70.21 -31.47 68.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.649 179.842 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.535 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 11.7 tp60 -70.86 -44.89 65.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.699 179.846 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.94 -49.68 65.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.227 179.472 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.447 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 1.7 pp -81.32 -17.55 48.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.363 179.805 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.535 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 2.5 m -71.46 -23.66 61.86 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.813 0.339 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.406 ' CG1' ' HE3' ' A' ' 109' ' ' MET . 13.2 t -90.59 -44.57 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.518 179.796 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.447 ' CG ' ' HA ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -60.14 -27.67 67.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.995 0.426 . . . . 0.0 110.128 179.072 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.404 ' CD2' HD12 ' A' ' 37' ' ' LEU . 2.7 m-70 -76.72 -42.74 40.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.225 179.389 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -27.72 59.35 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.983 179.798 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.37 -67.67 0.69 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.741 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.99 -44.14 19.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.627 -179.789 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -55.03 -59.01 5.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.841 0.353 . . . . 0.0 110.962 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -66.26 -28.22 68.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.431 ' HA ' ' CE2' ' A' ' 116' ' ' TRP . . . -73.61 66.54 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.446 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 174.21 120.28 0.58 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.544 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 3.1 mm? -73.78 139.18 76.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.522 0.201 . . . . 0.0 110.733 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 22.3 Cg_exo -63.3 -73.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.319 2.012 . . . . 0.0 112.293 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.3 ttt-85 -148.52 -70.82 0.21 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.835 0.35 . . . . 0.0 111.35 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -58.47 -42.39 87.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.294 -179.545 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -52.65 -29.61 27.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.135 -179.744 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.422 ' CE1' ' CB ' ' A' ' 58' ' ' SER . 27.0 t-80 -89.99 -37.28 14.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.963 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.98 -20.66 39.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.391 -179.808 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -97.47 -60.75 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 110.981 -179.803 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.4 p -58.97 -13.95 4.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -179.204 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.422 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 23.1 t -118.89 -31.33 4.81 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.219 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.93 -9.8 16.93 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -125.06 -63.83 1.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.701 0.286 . . . . 0.0 111.681 -179.466 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.59 149.96 0.37 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.99 -179.346 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.94 160.24 48.2 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.823 2.348 . . . . 0.0 112.635 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.91 -33.37 10.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.231 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.5 p -58.74 -47.13 85.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.708 179.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.29 -37.06 69.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.592 179.634 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -60.55 -39.15 86.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.56 179.735 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -61.12 -40.58 94.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.205 179.389 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -32.25 73.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.583 179.506 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.413 ' CE2' HD21 ' A' ' 49' ' ' LEU . 10.7 t80 -55.91 -67.76 0.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.201 -179.863 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -64.91 -28.03 69.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 -179.761 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -60.01 -71.32 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.261 -179.701 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.421 ' CD1' ' NE1' ' A' ' 116' ' ' TRP . 4.6 pp -52.68 -38.43 60.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.5 -179.538 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.407 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 4.7 t80 -72.16 -30.63 65.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.163 -179.741 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.8 t -55.83 -37.51 68.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.614 179.767 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -78.58 -28.21 45.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.865 179.785 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.2 m -73.94 -40.55 63.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.207 -179.851 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -68.6 -31.77 71.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.483 -179.347 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -88.38 -9.44 52.66 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -179.445 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 p -92.87 -43.42 8.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.557 0.218 . . . . 0.0 111.298 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 mt -51.91 -26.12 9.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.742 0.306 . . . . 0.0 111.043 -179.897 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.52 -43.8 96.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.587 179.629 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 65.5 mtm -68.66 -27.6 66.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.745 179.732 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.28 -52.1 66.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.004 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.517 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 1.7 p30 -88.95 51.5 2.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.8 179.877 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.6 tpt -130.48 -37.05 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.928 -179.578 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -73.57 -5.17 38.59 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.082 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.517 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 71.3 m80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 111.126 -179.882 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.727 0.299 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.09 -42.03 0.44 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.651 2.234 . . . . 0.0 112.464 -179.847 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -77.37 -8.93 58.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.538 -179.687 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -48.21 -56.54 7.68 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.841 0.353 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -60.14 -51.86 67.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.6 t -54.85 -56.61 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.597 -179.817 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.01 -48.92 64.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.387 -179.657 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.2 -31.62 64.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.973 -179.833 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.406 ' HE3' ' CG1' ' A' ' 39' ' ' VAL . 4.2 mtm -70.17 -57.35 5.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.855 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -25.64 20.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.95 0.405 . . . . 0.0 110.389 179.417 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -66.77 -38.49 86.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.151 179.324 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.21 -37.03 71.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.588 179.483 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.5 tp -66.51 -31.84 55.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.433 179.56 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 63.0 m -56.44 -38.12 71.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.151 179.38 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.69 -46.48 11.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.207 179.274 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.446 ' CH2' ' N ' ' A' ' 48' ' ' GLY . 24.9 m95 -58.13 -52.52 65.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.491 179.533 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.0 t -54.4 -47.06 73.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.453 179.46 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -60.54 -32.95 71.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.406 179.473 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 6.1 ttt -68.77 -38.55 80.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.62 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 33.8 ttt-85 -54.04 -39.34 66.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.695 179.81 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -83.44 -33.92 25.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.794 179.755 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.91 -59.32 2.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.66 -43.49 68.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.996 179.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -58.7 -43.35 90.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -67.88 -50.9 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.807 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.59 89.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 20.0 ttm -56.91 -37.1 70.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 133.63 43.07 0.14 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.638 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 31.0 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 111.063 179.916 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.445 HG23 ' HB2' ' A' ' 35' ' ' GLN . 1.3 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.854 0.359 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.0 p -55.19 -40.11 70.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 179.906 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 m -64.57 -30.31 71.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.483 179.517 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.445 ' HB2' HG23 ' A' ' 32' ' ' THR . 0.0 OUTLIER -67.79 -46.09 72.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.65 179.789 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -52.95 -47.91 67.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.055 0.455 . . . . 0.0 110.011 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.463 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 1.3 pp -81.38 -18.62 44.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.293 179.62 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.417 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 27.8 t -71.01 -28.05 64.13 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.714 0.293 . . . . 0.0 111.253 -179.625 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.401 ' CG1' ' HG3' ' A' ' 109' ' ' MET . 6.6 t -88.65 -41.41 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 0.0 110.884 -179.886 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.463 ' CG ' ' HA ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -63.16 -26.1 68.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.961 0.41 . . . . 0.0 110.226 179.409 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.407 ' CD2' HD11 ' A' ' 37' ' ' LEU . 2.5 m-70 -78.13 -39.16 42.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.17 179.233 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -80.91 -30.78 35.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.033 179.851 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.441 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -75.61 -53.67 8.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.041 -179.799 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.21 -35.89 70.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.085 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -59.3 -46.31 88.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.719 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.9 m -78.13 -25.88 47.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.805 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.16 78.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.345 -179.906 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.92 123.29 0.65 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.668 179.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.7 mt -73.0 144.23 84.92 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.615 0.245 . . . . 0.0 110.672 179.871 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.45 -83.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.382 2.055 . . . . 0.0 112.297 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.24 -67.37 0.24 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.81 0.338 . . . . 0.0 111.074 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -63.98 -31.0 72.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 -179.873 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.21 -42.14 76.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.469 ' CE1' ' CB ' ' A' ' 58' ' ' SER . 18.3 t-80 -73.99 -36.32 64.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.045 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.42 -21.68 38.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.442 -179.738 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -96.61 -53.92 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 111.088 -179.699 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.1 p -65.87 -9.69 8.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -179.406 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.469 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 9.0 t -113.88 -38.5 4.21 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -178.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.1 t -106.89 -9.96 16.16 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -178.689 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -117.38 -66.41 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.722 0.296 . . . . 0.0 111.485 -179.634 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.98 150.29 0.61 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.643 -179.656 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.15 160.1 49.03 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.666 2.244 . . . . 0.0 112.341 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.36 -38.02 62.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.061 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.6 p -56.76 -41.06 76.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.746 179.82 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.44 -30.83 70.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.631 179.738 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -75.09 -32.95 61.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.789 179.87 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -58.89 -45.64 89.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -73.61 -26.52 60.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -57.76 -54.19 49.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -71.1 -30.35 66.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -60.24 -57.87 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.06 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.407 ' CD1' ' N ' ' A' ' 73' ' ' TYR . 4.0 pp -58.34 -36.37 73.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.011 -179.881 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.407 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 3.5 t80 -75.8 -30.39 59.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.847 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.8 p -54.76 -37.84 66.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.019 0.438 . . . . 0.0 110.386 179.613 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -81.47 -26.08 35.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.523 179.415 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.402 ' CG2' HD13 ' A' ' 43' ' ' LEU . 17.6 m -72.88 -36.1 67.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -74.89 -32.39 61.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 -179.654 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.37 -38.45 18.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.181 -179.912 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.7 t -62.43 -46.76 87.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' A' ' 40' ' ' ARG . 62.8 mt -55.78 -35.1 65.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -63.45 -54.43 36.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 61.7 mtm -57.61 -22.31 44.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.24 25.11 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.318 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -138.91 26.33 2.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.2 mtm -130.14 -41.1 1.28 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 -179.857 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -42.52 -29.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.044 -179.569 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.342 . . . . 0.0 111.079 -179.796 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.426 HD13 ' CE1' ' A' ' 103' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.559 0.218 . . . . 0.0 110.694 . . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -51.69 -21.91 12.14 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.576 2.184 . . . . 0.0 112.924 -179.655 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.426 ' CE1' HD13 ' A' ' 101' ' ' LEU . 34.4 p-80 -84.01 -23.35 30.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.615 0.245 . . . . 0.0 111.285 -179.738 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -52.76 -50.88 62.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.803 0.335 . . . . 0.0 110.657 179.728 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.503 ' O ' ' HG2' ' A' ' 109' ' ' MET . 4.7 p30 -59.02 -47.35 85.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.226 179.399 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 80.1 t -45.95 -60.24 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.09 179.582 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -57.42 -33.85 68.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.994 0.426 . . . . 0.0 110.242 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.36 -22.88 62.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.124 179.748 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' A' ' 105' ' ' ASN . 2.3 mmt -66.87 -55.87 12.84 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.972 0.415 . . . . 0.0 110.534 179.881 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.11 -29.34 63.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.645 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -41.54 99.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.387 179.647 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.81 -48.04 70.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.81 179.655 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.26 -30.56 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.785 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 91.4 m -59.33 -38.07 79.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.36 179.606 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -87.48 -41.89 13.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.7 179.694 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -66.19 -50.58 63.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.68 179.748 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.0 t -57.84 -49.64 76.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.316 179.479 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -60.48 -31.77 70.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.292 179.257 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.2 ttt -74.93 -34.03 62.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.667 179.706 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -53.23 -43.27 67.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.736 179.814 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.46 -35.89 20.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.907 179.906 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.8 -58.54 4.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.6 tp -57.03 -42.5 80.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.967 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -59.56 -49.26 78.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.869 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -67.14 -44.67 79.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.44 -37.8 82.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 26.4 ttm -59.07 -47.81 83.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.819 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 149.54 41.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.462 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 16.5 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.815 0.341 . . . . 0.0 111.067 179.974 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.414 HG22 ' HB2' ' A' ' 35' ' ' GLN . 12.5 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.906 0.384 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -58.01 -30.93 66.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.801 179.844 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 m -67.37 -32.37 73.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.774 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.414 ' HB2' HG22 ' A' ' 32' ' ' THR . 0.1 OUTLIER -78.02 -34.96 50.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.91 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.79 -48.29 66.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.062 0.458 . . . . 0.0 109.896 179.508 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 pp -80.0 -22.35 42.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.224 178.9 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.5 t -59.28 -47.86 83.79 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.698 179.699 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.2 m -72.34 -36.86 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.023 179.822 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.558 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -64.55 -22.69 67.04 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.144 179.454 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -83.6 -35.23 24.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.398 179.368 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -81.85 -35.42 29.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.433 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -74.38 -66.63 0.71 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.448 179.806 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.409 ' CA ' HD12 ' A' ' 80' ' ' LEU . . . -46.35 -44.44 16.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.588 179.865 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -52.73 -50.38 63.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.848 0.356 . . . . 0.0 110.784 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.8 t -71.25 -26.9 63.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.682 179.642 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.479 ' HA ' ' CE2' ' A' ' 116' ' ' TRP . . . -72.57 65.63 0.68 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.449 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 175.64 130.67 1.35 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.525 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 2.7 mm? -83.18 136.31 43.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.52 0.2 . . . . 0.0 110.675 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 33.0 Cg_exo -58.25 -74.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.323 2.016 . . . . 0.0 112.441 -179.766 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.49 -74.81 0.18 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.857 0.36 . . . . 0.0 111.267 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.88 -38.92 62.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.353 -179.584 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -57.28 -33.36 67.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.935 -179.924 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -90.13 -39.88 12.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -56.3 -21.65 25.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.494 -179.725 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.54 -58.59 1.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.956 -179.747 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.9 p -56.19 -18.98 6.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.25 -179.32 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.7 p -112.77 -41.41 3.8 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.24 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.72 -9.83 39.28 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -178.886 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -124.58 -62.4 1.26 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.683 0.277 . . . . 0.0 111.611 -179.544 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.95 150.01 0.78 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.782 -179.54 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.66 160.17 48.94 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.762 2.308 . . . . 0.0 112.485 -179.829 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -49.54 -39.34 34.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.192 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 p -56.97 -47.05 81.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.92 0.391 . . . . 0.0 110.716 179.846 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -63.4 -34.98 78.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.407 179.625 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -72.08 -32.77 67.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.78 179.662 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -56.21 -43.96 79.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -74.03 -26.2 60.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.225 -179.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -55.41 -58.58 7.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.001 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -69.5 -27.94 65.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 -179.773 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -68.43 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 111.14 -179.857 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.4 pp -53.7 -39.18 64.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.06 -179.861 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -69.84 -29.55 66.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.749 179.877 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.73 -45.49 70.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.97 0.414 . . . . 0.0 110.336 179.599 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -75.19 -22.18 58.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.753 179.46 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 81.8 m -77.28 -35.97 54.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.057 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -75.04 -24.7 58.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.396 -179.713 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.12 -33.92 13.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.343 -179.715 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.9 t -64.2 -47.13 80.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.089 -179.784 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.558 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 30.8 mt -62.12 -37.98 87.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.974 -179.8 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -55.24 -35.5 65.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.012 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 34.5 mtp -70.12 -31.36 68.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.73 -50.47 50.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.82 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.46 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 4.1 t70 -86.07 51.29 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.9 tpp -130.26 -46.3 1.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.217 -179.899 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -19.29 47.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.956 -179.359 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.46 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 37.5 m80 . . . . . 0 C--N 1.33 -0.241 0 CA-C-O 120.987 0.422 . . . . 0.0 111.029 -179.838 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 120.63 0.252 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.37 -22.73 34.98 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.597 2.198 . . . . 0.0 112.906 -179.634 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.65 -8.87 53.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.574 -179.623 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -70.34 -33.79 71.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.839 0.352 . . . . 0.0 110.732 179.803 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -71.97 -49.21 39.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 31.7 m -57.16 -35.89 49.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.052 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -61.46 -54.72 39.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.48 179.72 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.07 -25.86 64.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.678 179.574 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 ttm -59.18 -66.05 0.57 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.787 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -29.76 26.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.811 179.892 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.3 m -58.04 -38.09 75.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.437 179.472 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.34 -47.14 85.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.706 179.638 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -59.3 -29.49 42.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.739 179.822 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.8 m -58.34 -48.61 79.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.233 179.58 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -80.65 -42.11 22.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.374 179.363 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.479 ' CE2' ' HA ' ' A' ' 47' ' ' ALA . 35.2 m95 -60.02 -51.09 71.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.733 179.773 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.5 t -53.42 -46.06 69.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.48 179.582 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -62.3 -32.02 72.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.5 179.501 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.8 ttt -73.02 -35.72 66.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.609 179.754 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -53.0 -45.18 67.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.768 179.815 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -82.5 -33.92 28.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.848 179.762 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.96 -59.85 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 tp -53.16 -44.51 67.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -60.91 -40.24 92.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.808 179.859 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.01 -31.62 58.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.792 179.928 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.88 -33.76 59.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 15.6 ttm -61.99 -53.52 54.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 173.5 39.18 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.515 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 26.2 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.817 0.341 . . . . 0.0 111.062 179.992 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 p . . . . . 0 N--CA 1.462 0.13 0 CA-C-O 120.808 0.337 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.5 p -56.57 -33.93 66.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 179.812 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.11 -30.03 68.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.37 179.6 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.401 ' HA ' ' HB3' ' A' ' 38' ' ' SER . 0.0 OUTLIER -70.96 -40.86 71.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.618 179.654 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.91 -48.77 66.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.129 179.4 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 pp -81.27 -22.54 38.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.695 179.29 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.401 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 42.9 t -61.78 -32.75 73.04 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-O 120.886 0.374 . . . . 0.0 110.6 179.756 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.8 t -86.63 -34.07 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.169 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.45 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -68.75 -27.13 65.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 110.221 179.641 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -81.11 -35.17 31.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.718 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -36.78 29.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.358 -179.698 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.59 -62.13 1.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.048 -179.653 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.57 -44.03 56.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.51 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -53.47 -49.72 66.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.055 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.78 -26.56 59.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.426 ' HA ' ' CE2' ' A' ' 116' ' ' TRP . . . -69.59 67.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.196 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.417 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 162.94 130.22 1.1 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.577 179.927 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.5 mt -79.58 156.75 75.4 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.566 0.222 . . . . 0.0 110.727 179.852 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -69.55 -76.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.579 2.186 . . . . 0.0 112.465 -179.642 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.53 -68.77 0.22 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.877 0.37 . . . . 0.0 111.605 -179.814 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -56.07 -45.81 79.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.323 -179.418 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -55.33 -25.82 37.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.083 -179.887 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.4 ' HA ' ' CG1' ' A' ' 57' ' ' VAL . 26.7 t-80 -89.26 -33.81 16.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.03 -17.24 62.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.356 -179.761 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.414 ' CD2' ' HG3' ' A' ' 127' ' ' MET . 0.6 OUTLIER -99.32 -48.03 4.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.759 0.314 . . . . 0.0 111.044 -179.821 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 54' ' ' HIS . 14.2 p -68.44 -9.9 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -179.144 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -124.36 -38.12 2.46 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.37 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.56 -9.77 43.05 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.016 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -130.1 -62.44 0.94 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.764 -179.463 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.26 149.81 0.43 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.915 -179.341 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.11 160.2 48.0 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.694 2.263 . . . . 0.0 112.244 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.43 ' HG2' ' N ' ' A' ' 64' ' ' SER . 2.6 pm0 -50.37 -30.49 12.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.117 -179.899 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.43 ' N ' ' HG2' ' A' ' 63' ' ' GLN . 30.7 t -60.75 -46.0 92.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.47 179.724 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.99 -34.41 75.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.419 179.569 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -69.06 -37.28 78.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.561 179.652 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -59.47 -36.21 75.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.617 179.741 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -68.22 -35.11 77.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.742 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -54.56 -67.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.314 -179.754 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.31 -30.76 70.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.104 -179.741 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -60.15 -65.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.412 ' CD1' ' NE1' ' A' ' 116' ' ' TRP . 4.5 pp -56.38 -36.97 69.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.21 -179.759 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.405 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 4.7 t80 -72.18 -33.47 67.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.122 -179.867 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.2 m -53.39 -38.63 63.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.003 0.43 . . . . 0.0 110.378 179.655 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -78.58 -24.82 45.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.684 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 98.9 m -73.37 -46.52 48.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.096 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -62.46 -37.55 86.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.565 -179.336 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.1 -27.9 48.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.416 -179.487 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.59 -48.33 55.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.121 -179.848 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.45 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 2.8 mt -56.21 -31.04 63.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.337 . . . . 0.0 110.925 -179.914 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.94 -53.73 54.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.73 179.883 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.405 ' CB ' ' HB3' ' A' ' 105' ' ' ASN . 52.3 mtm -60.35 -20.37 59.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 179.551 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.79 -58.5 3.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.092 179.889 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.429 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 1.8 p30 -84.21 54.52 2.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.202 -179.736 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.1 tpp -130.29 -46.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.96 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -57.16 -22.65 41.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.647 -179.702 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 22.1 m80 . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.974 0.416 . . . . 0.0 111.117 -179.767 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.657 0.265 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.68 -40.29 5.63 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.604 2.203 . . . . 0.0 112.775 -179.497 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.427 ' HA ' HG23 ' A' ' 106' ' ' VAL . 0.5 OUTLIER -78.93 -8.77 59.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.763 -179.446 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.63 -36.29 82.34 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.985 0.421 . . . . 0.0 110.61 179.665 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.405 ' HB3' ' CB ' ' A' ' 82' ' ' MET . 7.9 p30 -79.01 -49.43 12.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.275 -179.78 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.427 HG23 ' HA ' ' A' ' 103' ' ' HIS . 6.5 m -59.23 -46.15 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.477 -179.607 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.413 ' N ' ' CG2' ' A' ' 106' ' ' VAL . 83.3 m-20 -61.56 -56.98 14.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.98 0.419 . . . . 0.0 110.537 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -59.7 -20.41 56.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.833 179.644 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.412 ' HE2' ' N ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -66.7 -54.56 21.76 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.875 0.369 . . . . 0.0 110.625 179.846 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -55.63 -26.7 45.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.507 179.63 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 t -65.41 -38.42 89.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.513 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.97 -45.62 92.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.707 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -27.72 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.792 179.852 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 90.0 m -61.73 -36.91 82.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.988 0.423 . . . . 0.0 110.221 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -84.44 -42.47 15.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.417 179.501 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.426 ' CE2' ' HA ' ' A' ' 47' ' ' ALA . 64.5 m95 -66.19 -50.44 63.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.614 179.607 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.3 m -57.74 -51.07 71.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.477 179.617 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -56.82 -30.9 64.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.42 179.55 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.2 ttt -71.65 -34.38 69.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.417 179.595 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -42.07 70.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.591 179.689 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -82.1 -38.17 25.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.922 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.97 -59.65 2.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 tp -52.86 -39.61 62.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -63.03 -54.29 40.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.796 179.861 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -61.58 -38.29 87.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.92 -31.66 69.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.414 ' HG3' ' CD2' ' A' ' 56' ' ' PHE . 10.0 ttm -58.98 -38.21 78.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 144.94 44.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 20.9 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.812 0.339 . . . . 0.0 111.085 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.5 t0 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.824 0.345 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.406 ' ND2' ' HD2' ' A' ' 102' ' ' PRO . 5.5 m120 -70.16 174.41 5.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.1 m -66.29 153.77 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.924 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.6 p -58.11 158.79 6.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.021 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 m -60.58 -39.62 88.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.397 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.02 -28.08 69.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.43 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -77.54 -34.92 53.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.561 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -52.99 -48.96 67.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.106 0.479 . . . . 0.0 109.996 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 pp -78.67 -24.25 45.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.357 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 t -64.61 -35.93 82.58 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.665 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 40' ' ' ARG . 6.1 p -78.57 -31.17 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.412 ' N ' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -75.34 -22.92 57.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.17 179.249 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -79.91 -33.74 39.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.795 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -76.67 -33.56 58.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.441 ' CG ' ' HG3' ' A' ' 109' ' ' MET . 0.0 OUTLIER -72.38 -64.43 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.769 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.11 -36.56 51.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.468 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -56.04 -48.72 75.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.799 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.5 m -80.66 -27.27 37.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.811 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.431 ' HA ' ' CD2' ' A' ' 116' ' ' TRP . . . -72.04 64.59 0.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.488 ' N ' ' CZ3' ' A' ' 116' ' ' TRP . . . 173.56 103.21 0.16 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.532 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.413 ' CD1' ' HB3' ' A' ' 53' ' ' GLN . 3.8 mm? -57.32 141.57 77.44 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 120.535 0.207 . . . . 0.0 110.61 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.42 -82.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.377 2.051 . . . . 0.0 112.717 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.63 -68.57 0.22 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.884 0.373 . . . . 0.0 111.398 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.13 -37.0 52.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.376 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -59.22 -39.9 84.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.991 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -70.12 -45.3 67.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.896 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -53.9 -24.06 14.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.254 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -95.07 -58.9 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.8 p -61.26 -12.97 6.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.7 t -117.45 -34.32 4.33 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.92 -9.77 18.66 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -123.95 -67.24 0.94 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -39.97 151.24 0.24 Allowed Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.155 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.4 160.29 50.01 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.896 2.398 . . . . 0.0 112.547 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -46.98 -40.72 14.97 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.292 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -56.11 -33.16 64.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.002 0.429 . . . . 0.0 110.754 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.87 -29.1 29.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.889 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -77.08 -53.03 8.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.455 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -59.77 -36.21 76.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.088 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -73.22 -25.41 60.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.771 0.32 . . . . 0.0 110.918 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -59.45 -60.01 4.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.761 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.74 -27.91 67.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.172 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -55.92 -66.06 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.118 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.426 ' CD1' ' NE1' ' A' ' 116' ' ' TRP . 4.0 pp -52.87 -34.61 55.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.977 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.415 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 8.0 t80 -74.51 -32.12 62.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.807 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.5 t -53.22 -37.47 62.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.032 0.444 . . . . 0.0 110.547 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.89 -28.94 39.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.749 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 41.1 m -71.43 -38.37 71.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.172 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -67.09 -45.83 76.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.2 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.8 -21.13 62.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.549 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.5 p -79.02 -48.14 14.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.605 0.24 . . . . 0.0 111.299 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.0 mt -55.5 -34.75 64.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.789 0.328 . . . . 0.0 110.994 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -57.58 -34.01 68.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 17.9 mtm -72.59 -31.46 65.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.783 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.13 -61.76 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.0 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.429 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 7.2 t0 -82.22 57.1 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.977 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.18 -49.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -56.33 -22.34 30.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.788 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 21.4 m80 -67.71 71.22 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 0.0 111.243 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -52.2 -24.56 7.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.505 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -90.28 -36.03 14.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.675 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.1 mtt -89.16 -56.64 3.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.697 0.284 . . . . 0.0 111.553 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.6 t -103.46 -167.74 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 111.168 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.96 97.79 2.19 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.666 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -94.28 34.47 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.754 0.311 . . . . 0.0 111.233 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 96' ' ' ILE . 54.1 m -99.47 -114.44 0.16 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.776 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.23 74.99 0.04 OUTLIER Glycine 0 C--N 1.335 0.497 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.638 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 94' ' ' SER . 26.5 pt -121.43 -175.1 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.703 0.287 . . . . 0.0 111.05 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -47.15 166.71 0.18 Allowed Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.048 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.73 55.22 0.88 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.828 2.352 . . . . 0.0 112.702 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 53.49 104.44 0.01 OUTLIER Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.846 -0.692 . . . . 0.0 113.021 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.03 161.09 16.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.729 0.299 . . . . 0.0 110.643 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.413 HD13 ' CE1' ' A' ' 103' ' ' HIS . 1.5 mt -75.9 132.63 74.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.956 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.406 ' HD2' ' ND2' ' A' ' 30' ' ' ASN . 44.9 Cg_exo -56.51 -17.43 21.89 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.621 2.214 . . . . 0.0 112.796 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.413 ' CE1' HD13 ' A' ' 101' ' ' LEU . 5.2 p-80 -89.63 -8.85 51.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.459 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -71.35 -33.79 69.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.875 0.369 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -76.61 -46.31 26.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.161 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 103' ' ' HIS . 29.4 m -56.9 -39.61 66.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.264 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -61.45 -57.18 13.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.731 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -62.36 -23.29 66.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.441 ' HG3' ' CG ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -58.1 -66.2 0.52 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.168 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -22.97 37.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.5 m -68.82 -41.08 79.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.117 0.484 . . . . 0.0 110.351 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.428 ' CB ' HD21 ' A' ' 43' ' ' LEU . . . -65.05 -45.86 83.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.624 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.2 -25.97 37.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.623 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 88.4 m -63.13 -37.08 85.78 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -82.86 -41.06 19.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.278 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.488 ' CZ3' ' N ' ' A' ' 48' ' ' GLY . 35.9 m95 -67.19 -48.73 67.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.682 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 98.5 p -54.02 -46.97 71.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.569 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -59.86 -31.86 70.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.56 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.7 ttt -73.77 -36.16 65.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.679 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -51.29 -47.56 62.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -80.8 -33.86 34.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.061 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.99 -59.88 2.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.322 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.6 tp -51.22 -46.39 62.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.221 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.97 -42.65 85.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -70.19 -52.07 26.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.41 -35.91 72.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 34.1 ttm -57.54 -43.81 84.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 141.34 38.52 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.849 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 2.8 mp -134.27 158.47 42.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 111.181 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -129.99 128.09 41.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -101.07 154.76 18.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.56 82.03 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.112 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.836 0.351 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -107.91 141.93 38.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.1 157.53 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.9 p -56.36 140.29 45.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.58 -32.61 63.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.791 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 m -70.78 -30.96 67.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.763 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -72.83 -44.83 60.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.8 mt -52.78 -46.71 67.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.068 0.461 . . . . 0.0 110.139 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 pp -81.18 -24.5 37.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.728 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.3 t -57.8 -48.76 78.79 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.898 0.38 . . . . 0.0 110.746 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 p -75.87 -29.21 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.302 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.538 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -69.88 -28.1 65.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.868 0.366 . . . . 0.0 110.393 179.672 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -72.85 -39.23 66.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -79.02 -33.47 44.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.252 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.429 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -75.97 -67.13 0.71 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.739 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -44.27 -44.63 8.15 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.782 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -55.94 -51.02 69.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.187 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 t -70.61 -29.04 65.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.05 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.98 72.85 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.186 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.455 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . -169.53 140.12 5.94 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.563 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.429 HD22 ' CE2' ' A' ' 69' ' ' TYR . 3.0 mm? -87.32 136.16 33.78 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 120.553 0.216 . . . . 0.0 110.761 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -65.47 -85.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.26 1.973 . . . . 0.0 112.316 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -148.34 -78.36 0.15 Allowed 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 120.833 0.349 . . . . 0.0 111.354 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.02 -40.4 89.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.641 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -50.57 -27.09 6.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.38 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -84.49 -50.87 7.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 111.065 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -51.19 -24.89 4.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.505 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.83 -53.75 4.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.033 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.7 p -66.03 -9.96 9.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.41 -38.75 2.97 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.38 -9.83 29.06 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -126.36 -63.68 1.08 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.33 149.94 0.29 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.143 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.28 160.28 45.34 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.847 2.365 . . . . 0.0 112.53 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -47.79 -38.78 16.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.212 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.5 m -56.99 -46.24 82.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.764 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.43 -37.63 85.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.622 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -69.72 -32.91 71.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.812 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -57.0 -47.74 80.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -72.16 -27.54 62.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.429 ' CE2' HD22 ' A' ' 49' ' ' LEU . 14.6 t80 -58.91 -54.22 49.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -78.23 -30.93 49.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.077 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -64.2 -53.73 44.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.038 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.415 ' CD1' ' NE1' ' A' ' 116' ' ' TRP . 3.9 pp -58.8 -40.94 85.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.045 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.408 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 6.5 t80 -75.93 -30.79 58.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.006 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 26.2 t -52.51 -37.29 57.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.597 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 55.6 m80 -79.6 -35.64 39.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.601 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 87.7 m -60.92 -33.82 73.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -73.2 -47.11 46.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.472 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.88 -33.96 64.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.524 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.4 p -60.91 -61.24 2.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.334 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.538 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 18.4 mt -53.89 -30.29 45.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.8 0.333 . . . . 0.0 110.951 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -47.97 83.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.787 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 27.7 mtm -64.99 -30.42 71.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.643 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.26 -52.98 22.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.445 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 7.8 t70 -85.96 52.88 2.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.5 tpt -130.22 -45.76 1.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -25.62 6.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.686 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.445 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 7.3 m80 -70.41 66.57 0.31 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.951 0.405 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.6 mtm-85 -49.18 -24.69 1.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.793 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -92.27 -30.17 16.01 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.405 ' HB2' ' CB ' ' A' ' 87' ' ' HIS . 5.5 mtm -94.15 -51.44 4.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.575 0.226 . . . . 0.0 111.607 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.408 HG21 ' O ' ' A' ' 87' ' ' HIS . 13.4 t -100.9 -171.08 1.94 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.812 0.339 . . . . 0.0 110.969 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.92 96.52 2.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.792 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -94.21 34.17 1.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.747 0.308 . . . . 0.0 111.307 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 63.5 m -99.79 -114.62 0.17 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.633 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.26 75.33 0.13 Allowed Glycine 0 C--N 1.335 0.496 0 C-N-CA 120.541 -0.837 . . . . 0.0 112.406 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.42 HG22 HD13 ' A' ' 96' ' ' ILE . 21.7 pt -127.46 -175.45 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.848 0.356 . . . . 0.0 111.156 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.14 167.38 0.25 Allowed Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.013 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.63 53.74 2.32 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.881 2.387 . . . . 0.0 112.596 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 45.86 78.71 0.08 OUTLIER Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.959 -0.639 . . . . 0.0 113.011 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -179.93 3.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.748 0.309 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.448 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 0.9 OUTLIER -73.18 137.44 78.77 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.693 179.868 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 101' ' ' LEU . 19.0 Cg_exo -65.95 -28.99 49.73 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.554 2.169 . . . . 0.0 112.691 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.75 -12.59 47.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.748 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -59.07 -36.27 74.77 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.971 0.415 . . . . 0.0 110.495 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -79.16 -48.94 13.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 28.5 t -47.86 -68.71 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.958 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -55.75 -53.44 56.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.406 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -57.34 -26.06 60.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.429 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.402 ' HE1' ' HB2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -61.75 -55.66 27.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.961 0.41 . . . . 0.0 110.551 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -54.01 -27.42 31.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.554 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -63.94 -37.14 86.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.528 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.73 -47.05 88.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -28.64 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 80.7 m -59.96 -37.4 79.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.956 0.408 . . . . 0.0 110.285 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -87.09 -40.12 14.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.437 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.455 ' CH2' ' N ' ' A' ' 48' ' ' GLY . 37.2 m95 -65.25 -50.08 67.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.529 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.6 t -58.23 -47.21 84.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.439 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.25 -35.01 76.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.513 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.9 ttt -68.91 -37.73 79.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.726 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.92 -43.72 66.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -83.24 -33.95 25.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.46 -59.33 2.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.359 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.6 tp -54.36 -45.48 72.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.162 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -57.39 -47.97 80.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -65.38 -42.24 92.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.22 -35.88 76.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.231 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 21.5 ttm -56.94 -48.97 77.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 156.86 39.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.607 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 2.4 mt -132.45 158.38 43.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.789 0.328 . . . . 0.0 111.013 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -122.15 107.13 11.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -89.92 150.22 22.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.113 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -149.94 84.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.279 -0.867 . . . . 0.0 111.117 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.801 0.334 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -132.08 -178.61 4.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m -81.73 169.73 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.882 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 t -72.71 145.25 47.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.025 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.39 -40.19 24.9 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.797 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.3 p -63.12 -31.37 72.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.412 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -35.36 63.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.88 -49.3 66.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.123 0.487 . . . . 0.0 110.103 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 pp -81.08 -25.04 37.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.595 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.9 t -58.75 -37.65 76.69 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.859 0.361 . . . . 0.0 110.683 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.4 t -81.65 -35.39 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.167 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.517 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -67.54 -25.25 65.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.754 0.311 . . . . 0.0 110.556 179.751 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -78.36 -38.17 42.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.703 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -79.28 -30.28 42.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.251 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.482 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -76.36 -67.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.783 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.408 ' CB ' ' CD1' ' A' ' 80' ' ' LEU . . . -45.16 -43.78 10.25 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.574 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -56.52 -45.04 81.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 m -74.45 -23.38 58.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 48' ' ' GLY . . . -77.75 -167.7 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.076 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 47' ' ' ALA . . . 33.82 99.98 0.01 OUTLIER Glycine 0 CA--C 1.52 0.386 0 CA-C-N 115.725 -0.67 . . . . 0.0 113.963 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.0 mt -50.21 149.81 4.9 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.687 0.279 . . . . 0.0 111.069 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.69 -79.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.583 2.189 . . . . 0.0 112.44 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.18 -69.32 0.23 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.847 0.356 . . . . 0.0 110.97 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -54.07 -39.84 66.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.037 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.06 -28.12 69.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -82.66 -45.04 15.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.48 -25.9 7.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.383 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -85.08 -58.59 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.953 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.7 p -61.38 -12.45 6.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -117.39 -37.76 3.45 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.64 -9.76 21.58 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -123.89 -67.61 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -39.26 150.82 0.22 Allowed Pre-proline 0 N--CA 1.463 0.207 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.154 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.22 160.25 50.58 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.833 2.355 . . . . 0.0 112.5 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.03 -38.98 40.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.143 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.5 m -57.84 -39.35 77.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.83 -35.58 64.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.834 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.05 -33.71 72.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -62.27 -47.18 85.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.98 -27.07 63.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -54.47 -71.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -59.07 -24.18 62.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -63.81 -64.24 0.95 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.154 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.41 ' CD1' ' N ' ' A' ' 73' ' ' TYR . 3.5 pp -55.34 -30.38 60.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.106 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 7.0 t80 -78.6 -33.6 47.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.766 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.96 -44.72 50.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.021 0.439 . . . . 0.0 110.41 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -78.22 -25.71 47.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.53 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.455 ' HA ' HG23 ' A' ' 79' ' ' THR . 44.5 m -73.98 -46.69 42.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -67.52 -25.24 65.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.34 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.28 -33.14 13.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.744 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.455 HG23 ' HA ' ' A' ' 76' ' ' THR . 13.0 t -65.19 -47.05 78.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.752 0.31 . . . . 0.0 110.928 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.517 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 55.5 mt -58.54 -40.03 81.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.67 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.33 -44.28 84.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.474 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.413 ' CB ' ' HB3' ' A' ' 105' ' ' ASN . 0.0 OUTLIER -58.63 -26.68 63.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.697 179.488 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.407 ' O ' ' CE1' ' A' ' 87' ' ' HIS . . . -82.74 -28.71 30.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -90.9 38.66 0.96 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.262 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.3 mtp -130.44 -46.59 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.003 0.43 . . . . 0.0 110.81 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -42.16 -31.21 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.864 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.411 ' HB2' ' CG2' ' A' ' 91' ' ' THR . 2.6 m80 -72.42 64.51 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.866 0.365 . . . . 0.0 110.682 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -72.51 -20.14 61.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -100.11 -38.8 8.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -69.5 -72.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.012 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.411 ' CG2' ' HB2' ' A' ' 87' ' ' HIS . 5.2 t -103.88 164.7 11.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.87 69.84 1.14 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.531 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.17 -62.92 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.54 -179.43 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.82 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -122.72 61.89 0.55 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.571 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 14.7 pt -120.37 166.21 15.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.938 0.399 . . . . 0.0 111.237 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.89 165.22 3.48 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.807 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 99' ' ' GLY . 93.1 Cg_endo -87.16 40.87 0.69 Allowed 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.779 2.32 . . . . 0.0 112.538 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 98' ' ' PRO . . . -20.74 -54.26 0.01 OUTLIER Glycine 0 C--N 1.338 0.654 0 CA-C-N 116.06 -0.518 . . . . 0.0 114.206 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.26 179.86 4.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.973 0.416 . . . . 0.0 111.222 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.421 HD12 ' CE1' ' A' ' 103' ' ' HIS . 28.9 mt -103.63 149.55 37.2 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.892 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -50.05 -24.68 11.32 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.754 2.303 . . . . 0.0 112.869 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.421 ' CE1' HD12 ' A' ' 101' ' ' LEU . 4.8 p80 -89.18 -8.83 52.85 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -70.78 -33.75 71.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.023 0.439 . . . . 0.0 110.522 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.413 ' HB3' ' CB ' ' A' ' 82' ' ' MET . 9.2 p30 -74.02 -42.14 60.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.183 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 103' ' ' HIS . 11.2 m -65.4 -37.26 79.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.802 0.334 . . . . 0.0 111.207 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.15 -52.58 63.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.807 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.35 -25.27 65.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -63.65 1.1 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.955 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -30.16 10.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.795 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -61.93 -36.44 81.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.479 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.45 -50.72 71.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.804 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.415 ' O ' ' CB ' ' A' ' 117' ' ' SER . 0.3 OUTLIER -57.06 -29.58 31.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 48.8 m -59.95 -39.66 86.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.947 0.404 . . . . 0.0 110.354 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.86 -40.37 14.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.617 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -66.93 -43.59 82.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.758 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 113' ' ' ILE . 68.4 m -61.8 -50.39 72.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.048 0.451 . . . . 0.0 110.042 179.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.89 -33.84 72.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.283 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 4.1 ttt -72.54 -36.06 68.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.608 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -50.86 -43.82 59.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.808 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.06 -41.59 20.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.964 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.54 -58.54 6.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.259 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 tp -52.66 -44.53 66.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -57.16 -47.98 79.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -61.62 -51.69 67.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.038 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.32 88.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.213 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 7.8 ttm -55.39 -46.52 76.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 152.9 43.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.531 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 22.4 mt -134.28 159.69 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 111.052 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -133.9 114.0 12.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -107.14 147.79 29.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -149.81 92.39 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.174 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 t70 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.842 0.353 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -97.87 -178.07 3.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.4 m -60.74 151.7 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.025 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.0 t -56.2 162.83 1.83 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -37.83 88.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.612 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.94 -31.43 72.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.743 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -72.95 -37.37 67.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.84 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -52.86 -49.22 66.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.117 0.484 . . . . 0.0 110.151 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 pp -81.13 -23.19 38.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.587 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.5 t -55.58 -46.98 77.18 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.524 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -77.47 -40.49 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.228 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.43 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -60.57 -20.82 61.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.77 0.319 . . . . 0.0 110.25 179.492 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -81.91 -36.59 27.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.273 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.524 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 8.1 pt20 -81.58 -37.39 27.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.741 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.45 ' HB3' HD21 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -71.06 -58.0 3.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.824 -179.839 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.474 ' N ' HD21 ' A' ' 80' ' ' LEU . . . -50.34 -56.01 13.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.552 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -53.17 -50.28 64.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.236 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.4 m -63.21 -27.74 69.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.96 78.72 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.233 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.445 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 171.84 136.18 2.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.595 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.405 HD23 ' CE2' ' A' ' 69' ' ' TYR . 3.1 mm? -88.28 135.28 33.15 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 120.503 0.192 . . . . 0.0 110.683 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -55.93 -77.45 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.251 1.967 . . . . 0.0 112.459 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -148.7 -70.43 0.21 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.836 0.351 . . . . 0.0 111.491 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -36.11 75.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.409 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -52.16 -25.9 10.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.297 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.416 ' CE1' ' CB ' ' A' ' 58' ' ' SER . 31.7 t-80 -90.08 -37.38 14.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.177 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -56.05 -23.35 32.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.527 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -98.78 -57.96 2.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.755 0.312 . . . . 0.0 111.264 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.41 ' HA ' ' CB ' ' A' ' 61' ' ' ALA . 13.3 p -56.3 -16.63 3.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.416 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 51.7 p -117.04 -35.34 4.11 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -179.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.84 -9.83 22.46 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -178.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -127.27 -63.68 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' A' ' 57' ' ' VAL . . . -40.47 150.74 0.27 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.083 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.32 160.27 45.24 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.789 2.326 . . . . 0.0 112.382 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.17 -39.06 12.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.27 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.4 p -56.01 -37.41 69.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.994 0.426 . . . . 0.0 110.619 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.69 -39.22 57.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.532 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -70.35 -32.87 70.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.904 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -61.53 -49.87 74.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -70.18 -26.34 63.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.405 ' CE2' HD23 ' A' ' 49' ' ' LEU . 15.3 t80 -53.41 -53.97 43.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.049 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -79.49 -28.18 41.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.073 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.2 -61.84 2.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.071 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.407 ' CD1' ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -56.32 -42.16 77.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.078 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.407 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 5.9 t80 -69.12 -29.06 67.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.6 t -54.95 -43.88 73.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.927 0.394 . . . . 0.0 110.548 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.94 -27.37 61.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.604 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 65.5 m -71.53 -36.73 71.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -74.27 -24.48 59.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.548 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.85 -26.31 14.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.558 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.7 t -71.95 -48.43 45.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.313 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.474 HD21 ' N ' ' A' ' 44' ' ' ALA . 4.6 mt -56.74 -37.09 70.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.843 0.354 . . . . 0.0 110.748 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -55.85 -47.58 77.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.773 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 77.7 mtm -65.04 -24.05 67.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.838 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.68 -40.49 55.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.289 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -91.43 40.94 1.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.209 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpp -130.5 -40.47 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.402 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.78 -24.24 5.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.935 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -62.28 -160.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.667 0.27 . . . . 0.0 110.361 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.4 mmt-85 -131.39 -64.32 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.833 0.349 . . . . 0.0 111.414 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -86.61 -42.68 13.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.94 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.9 mtm -56.62 -23.43 41.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.055 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.8 t -140.54 -177.95 5.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.687 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.67 107.53 3.56 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.59 -0.815 . . . . 0.0 112.286 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.72 34.12 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.703 0.287 . . . . 0.0 111.437 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.1 m -103.83 -114.74 0.22 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.641 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -70.39 68.43 0.71 Allowed Glycine 0 C--N 1.334 0.471 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.403 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 42.7 pt -87.19 -176.55 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 111.26 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -53.38 166.79 0.51 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.032 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -69.1 56.83 1.13 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.799 2.333 . . . . 0.0 112.414 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 65.25 125.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.688 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -151.47 153.53 34.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.722 0.296 . . . . 0.0 110.694 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mt -78.14 131.87 68.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.956 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -56.89 -19.17 30.65 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.64 2.227 . . . . 0.0 112.676 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -86.03 -22.7 27.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.179 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -53.27 -53.62 48.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.82 0.343 . . . . 0.0 110.965 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -60.67 -32.19 71.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.713 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.8 t -65.98 -62.02 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -54.71 -35.23 63.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.16 -35.57 64.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.685 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.401 ' CE ' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -60.03 -50.14 74.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.512 179.781 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.1 mtm105 -59.43 -30.84 68.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.482 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -34.77 74.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.639 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.11 -48.35 76.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.81 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -28.71 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.706 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 54.5 m -59.97 -41.46 92.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.358 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -85.68 -41.28 15.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.29 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.445 ' CH2' ' N ' ' A' ' 48' ' ' GLY . 40.8 m95 -62.34 -50.09 73.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.408 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.2 t -57.99 -47.18 83.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.393 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.8 -32.96 71.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.528 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.0 ttt -69.17 -40.26 78.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.665 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -51.59 -41.19 61.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.868 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -82.66 -44.26 15.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.0 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.23 -59.09 4.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.281 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.8 tp -52.78 -45.16 67.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -57.88 -47.6 82.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.997 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -68.49 -40.53 80.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.28 -37.73 80.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 25.3 ttm -54.95 -49.1 72.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 155.25 41.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 21.6 mt -135.34 157.67 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.343 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -130.04 130.14 44.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.11 144.48 40.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.094 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -136.7 85.58 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.098 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.854 0.359 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.403 ' ND2' ' HB2' ' A' ' 102' ' ' PRO . 13.5 m120 -124.18 -177.72 3.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.2 m -84.39 154.51 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.8 p -58.98 158.52 8.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 p -60.01 -38.9 84.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.621 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.34 -26.24 65.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.781 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -78.66 -40.23 34.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.1 mt -52.86 -44.64 66.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.02 0.438 . . . . 0.0 110.158 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 pp -81.31 -29.02 34.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.313 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.9 t -54.76 -48.13 73.0 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.839 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.462 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . 12.1 p -71.42 -38.34 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.533 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -61.73 -25.04 67.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.813 0.339 . . . . 0.0 110.369 179.661 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -74.85 -36.91 62.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.212 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.462 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 4.7 pt20 -81.69 -32.26 31.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.915 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.429 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -75.43 -67.2 0.68 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.591 -179.859 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -47.0 -46.48 21.8 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.513 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -56.43 -61.34 2.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.833 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 m -59.79 -26.49 65.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.422 ' HA ' ' CD2' ' A' ' 116' ' ' TRP . . . -73.28 63.63 0.75 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.227 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.487 ' N ' ' CZ3' ' A' ' 116' ' ' TRP . . . 174.42 112.73 0.3 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.565 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.409 HD11 ' CB ' ' A' ' 53' ' ' GLN . 3.5 mm? -59.91 147.44 79.44 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.56 0.219 . . . . 0.0 110.466 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.57 -83.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.482 2.121 . . . . 0.0 112.557 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.17 -71.14 0.21 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.798 0.332 . . . . 0.0 111.144 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.82 -35.75 45.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.409 ' CB ' HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -61.31 -34.14 74.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.429 ' HA ' ' CG1' ' A' ' 57' ' ' VAL . 25.5 t-80 -75.65 -41.33 54.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.48 -19.45 47.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.417 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -97.56 -38.31 9.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.396 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.429 ' CG1' ' HA ' ' A' ' 54' ' ' HIS . 14.1 p -77.85 -9.6 12.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.2 m -121.68 -40.8 2.52 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -90.77 -9.8 45.22 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -129.43 -62.62 0.97 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.808 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.62 150.48 0.42 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.972 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.74 160.31 48.39 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.796 2.331 . . . . 0.0 112.495 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -46.45 -42.59 15.59 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.265 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.08 -31.6 61.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.796 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.71 -29.59 25.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.862 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -77.1 -50.43 13.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.39 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -61.62 -38.98 89.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.006 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -69.14 -26.88 65.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.81 0.338 . . . . 0.0 110.826 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -58.82 -59.28 5.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.761 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -71.26 -27.62 63.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.2 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.6 -60.99 2.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.09 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.5 pp -57.19 -34.27 68.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.98 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -75.29 -32.6 61.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.877 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.36 -37.95 62.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.52 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -82.16 -24.63 34.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.62 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 52.8 m -72.62 -42.91 63.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -67.64 -41.3 84.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.299 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -20.5 60.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.382 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 p -80.33 -52.36 7.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.663 0.268 . . . . 0.0 111.106 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.533 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 13.4 mt -55.04 -35.54 64.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.87 -24.21 35.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.104 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 68.7 mtm -81.15 -0.76 41.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.422 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.427 ' O ' ' CE1' ' A' ' 87' ' ' HIS . . . -112.96 -25.27 9.07 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.572 0.225 . . . . 0.0 111.558 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -96.22 35.48 1.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.319 . . . . 0.0 111.205 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.5 mtt -130.87 -51.7 1.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.741 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -37.45 -69.76 0.11 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.086 -0.507 . . . . 0.0 112.079 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.427 ' CE1' ' O ' ' A' ' 83' ' ' ALA . 0.4 OUTLIER -65.06 71.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.098 -179.782 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -52.26 -32.53 37.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.113 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -56.83 -51.76 67.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.632 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 65.5 mtm -80.29 -34.46 36.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.049 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.6 t -176.85 137.64 0.25 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.905 0.383 . . . . 0.0 111.355 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.615 ' O ' ' N ' ' A' ' 94' ' ' SER . . . 134.91 -85.56 0.26 Allowed Glycine 0 CA--C 1.509 -0.32 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.639 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 92' ' ' GLY . . . 22.17 35.8 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.615 ' N ' ' O ' ' A' ' 92' ' ' GLY . 15.4 m -135.51 174.93 10.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.735 0.302 . . . . 0.0 110.797 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -55.81 95.41 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.393 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 19.6 pt -84.5 -174.45 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.921 0.391 . . . . 0.0 111.452 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.14 166.35 34.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -69.39 56.97 1.27 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.818 2.345 . . . . 0.0 112.339 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.65 125.06 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.682 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -145.82 168.25 21.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.34 . . . . 0.0 110.846 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mt -80.86 131.35 60.48 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.749 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.403 ' HB2' ' ND2' ' A' ' 30' ' ' ASN . 39.1 Cg_exo -60.2 -17.81 48.23 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.418 2.079 . . . . 0.0 112.575 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.401 ' O ' HG22 ' A' ' 106' ' ' VAL . 28.8 p-80 -94.87 -12.94 26.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.542 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.45 -28.18 68.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.904 0.383 . . . . 0.0 110.76 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -79.12 -54.16 6.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.335 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.417 HG21 ' N ' ' A' ' 107' ' ' ASP . 32.8 m -55.21 -45.94 77.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.765 0.316 . . . . 0.0 111.573 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.417 ' N ' HG21 ' A' ' 106' ' ' VAL . 21.5 t0 -61.42 -54.26 45.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.871 0.367 . . . . 0.0 110.716 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -64.75 -22.83 67.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.402 ' CE ' ' HB2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -66.47 -62.17 1.61 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.791 0.329 . . . . 0.0 110.859 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.9 ptp85 -51.8 -26.35 9.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.765 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -66.58 -37.16 84.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.547 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.1 -46.29 91.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.812 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -29.15 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 60.1 m -60.67 -39.2 87.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.212 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.88 -42.2 15.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.481 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.487 ' CZ3' ' N ' ' A' ' 48' ' ' GLY . 46.2 m95 -64.63 -49.55 70.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.569 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.7 t -57.09 -43.91 82.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.539 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -59.3 -35.48 73.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.591 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.6 ttt -71.59 -32.88 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.678 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.8 ttt-85 -55.02 -41.17 70.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.809 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.17 -43.02 15.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.918 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.07 -57.02 9.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.9 tp -55.78 -43.74 77.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -59.87 -45.39 92.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -68.27 -52.31 35.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.13 -32.45 64.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 21.1 ttm -67.06 -31.78 72.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.774 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 125.99 38.93 0.44 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.589 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 5.9 mt -128.43 158.46 40.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.814 0.34 . . . . 0.0 111.054 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -129.65 130.02 45.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -119.52 147.65 44.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.05 79.88 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.758 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.276 -0.868 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.76 0.314 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.43 ' HB3' ' HB3' ' A' ' 102' ' ' PRO . 2.0 m-20 -101.51 147.91 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -52.4 158.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.019 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 p -58.62 141.04 53.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.658 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -54.69 -31.35 57.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 t -71.75 -29.93 65.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.655 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.415 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 60.6 tp60 -71.69 -41.37 68.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.413 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.2 mt -57.71 -45.6 85.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.145 0.498 . . . . 0.0 109.897 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.436 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 1.8 pp -81.2 -14.95 57.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.937 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.415 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 3.7 m -68.46 -28.29 66.91 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.831 0.348 . . . . 0.0 110.726 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.461 ' HB ' ' HG2' ' A' ' 109' ' ' MET . 27.1 m -91.37 -38.57 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.275 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.436 ' CG ' ' HA ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -61.88 -27.26 68.68 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.629 -0.429 . . . . 0.0 110.084 179.291 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -81.1 -40.54 23.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.405 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 3.0 pp0? -72.93 -36.59 67.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.514 ' HB2' ' HG3' ' A' ' 109' ' ' MET . 0.0 OUTLIER -69.21 -62.65 1.29 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.625 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.72 -30.99 15.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -59.43 -46.28 89.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.618 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.3 m -86.48 -28.5 23.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.815 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.71 64.03 1.2 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.95 121.52 1.01 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.425 HD23 ' CE2' ' A' ' 69' ' ' TYR . 2.5 mm? -75.18 127.48 86.44 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.573 0.225 . . . . 0.0 110.802 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.33 -87.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.331 2.021 . . . . 0.0 112.304 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.31 -71.34 0.21 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.887 0.375 . . . . 0.0 111.22 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -60.4 -43.61 96.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.339 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.61 -30.16 29.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.203 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.458 ' CE1' ' CB ' ' A' ' 58' ' ' SER . 26.7 t-80 -87.79 -36.56 17.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.902 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -21.9 31.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.308 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.411 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 1.9 t80 -95.2 -57.31 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.776 0.322 . . . . 0.0 110.995 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.0 p -61.11 -12.46 5.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.458 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 5.8 t -118.76 -33.43 4.24 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.062 0.394 . . . . 0.0 112.062 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.9 -9.81 18.65 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -124.23 -66.59 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.753 0.311 . . . . 0.0 111.73 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.71 153.33 0.27 Allowed Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.019 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.26 160.21 49.9 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.769 2.313 . . . . 0.0 112.445 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -52.97 -35.27 58.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.1 m -57.74 -40.88 80.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.779 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.17 -29.91 65.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.815 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -74.77 -32.97 62.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -62.41 -44.96 95.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -73.24 -24.27 60.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.044 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.425 ' CE2' HD23 ' A' ' 49' ' ' LEU . 41.7 t80 -56.63 -57.7 11.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -72.79 -27.32 61.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.207 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.18 -60.32 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.26 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.439 ' HA ' ' CE1' ' A' ' 75' ' ' HIS . 4.3 pp -55.1 -44.43 74.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.194 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.409 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 5.2 t80 -68.9 -24.85 64.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.971 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -50.73 71.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.854 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.439 ' CE1' ' HA ' ' A' ' 72' ' ' LEU . 2.2 p-80 -74.16 -19.93 60.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 88.3 m -72.84 -45.92 55.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.862 0.363 . . . . 0.0 110.798 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -62.4 -42.95 99.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.359 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.67 -30.15 64.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.408 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 p -70.08 -44.28 69.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.748 0.309 . . . . 0.0 110.991 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.7 mt -55.83 -25.38 41.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.89 -52.03 41.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 68.3 mtm -54.93 -26.16 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.96 10.02 25.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.31 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -142.52 47.57 1.57 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.8 0.333 . . . . 0.0 110.663 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.436 ' HA ' HG21 ' A' ' 91' ' ' THR . 0.0 OUTLIER -129.22 -57.74 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.349 -179.533 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -44.51 -29.14 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.092 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -73.13 71.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.976 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.414 ' HA ' ' CB ' ' A' ' 93' ' ' ALA . 20.1 mtt-85 -52.5 -22.24 4.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.797 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -97.17 -29.88 13.33 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 4.4 mtm -94.43 -20.82 19.36 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.436 HG21 ' HA ' ' A' ' 85' ' ' MET . 9.0 t -137.85 -160.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.638 0.256 . . . . 0.0 110.969 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.74 110.16 3.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.819 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.414 ' CB ' ' HA ' ' A' ' 88' ' ' ARG . . . -97.56 34.36 1.85 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.814 0.34 . . . . 0.0 111.244 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.1 p -99.5 -114.75 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.808 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.84 72.96 0.17 Allowed Glycine 0 C--N 1.334 0.451 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.517 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.491 HD13 HG21 ' A' ' 96' ' ' ILE . 15.2 pt -82.89 -175.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.921 0.391 . . . . 0.0 111.136 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -68.89 166.88 23.33 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.693 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.2 58.34 2.9 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.806 2.338 . . . . 0.0 112.081 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.21 125.06 0.16 Allowed Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.4 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.7 ptm -141.81 159.16 42.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 0.0 111.099 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.0 mt -89.13 155.95 49.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.559 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.43 ' HB3' ' HB3' ' A' ' 30' ' ' ASN . 56.6 Cg_endo -70.53 -46.71 0.84 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.474 2.116 . . . . 0.0 113.006 -179.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -8.9 58.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.628 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -57.44 -56.44 21.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.88 0.371 . . . . 0.0 110.65 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' A' ' 109' ' ' MET . 7.5 p30 -59.72 -49.71 76.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.816 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.41 ' N ' ' OD1' ' A' ' 105' ' ' ASN . 31.8 t -51.34 -58.96 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.528 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -55.95 -50.98 69.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.132 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.33 -24.36 67.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.514 ' HG3' ' HB2' ' A' ' 43' ' ' LEU . 3.6 tpp -62.46 -58.35 7.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.997 0.427 . . . . 0.0 110.55 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -55.82 -26.9 48.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.529 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 t -60.35 -40.21 89.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.571 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.77 -35.8 81.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.809 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.1 tp -66.82 -32.25 57.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.801 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 14.9 p -58.22 -52.0 67.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.037 0.446 . . . . 0.0 110.144 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -70.68 -49.0 51.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.441 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.4 ' NE1' ' CD1' ' A' ' 72' ' ' LEU . 27.1 m95 -58.34 -57.62 12.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.7 t -52.45 -42.28 64.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.71 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -61.1 -32.48 72.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.536 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.0 ttt -75.2 -37.98 60.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.762 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -50.24 -41.84 50.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.038 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -85.24 -40.23 16.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.42 -57.95 8.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.2 tp -56.87 -45.49 82.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -57.85 -47.18 83.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.989 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -66.7 -42.94 85.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.09 94.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.411 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 7.0 ttm -57.74 -44.79 86.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 151.0 45.88 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.548 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 33.6 mt -132.79 158.01 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 111.076 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -132.48 129.31 39.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -92.68 149.07 21.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.057 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -150.14 79.96 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.752 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.057 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.774 0.321 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.412 ' ND2' ' HB2' ' A' ' 102' ' ' PRO . 17.5 m120 -85.5 -176.4 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.2 m -94.26 167.05 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.844 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.413 HG23 ' CB ' ' A' ' 35' ' ' GLN . 4.8 t -73.42 160.17 32.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.92 0.39 . . . . 0.0 111.174 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -57.92 -38.08 75.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.863 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.4 m -67.05 -31.91 72.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.81 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.413 ' CB ' HG23 ' A' ' 32' ' ' THR . 0.2 OUTLIER -78.8 -34.81 45.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.416 ' HB3' ' CE1' ' A' ' 87' ' ' HIS . 2.3 mm? -52.78 -48.13 67.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.066 0.46 . . . . 0.0 110.146 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.412 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 2.9 pp -79.1 -24.29 43.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.588 179.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.1 t -65.34 -29.77 70.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.428 ' CG1' ' HG2' ' A' ' 109' ' ' MET . 0.9 OUTLIER -82.58 -40.81 17.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.148 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.442 ' CZ ' ' CE1' ' A' ' 41' ' ' HIS . 0.0 OUTLIER -68.68 -20.83 64.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.743 0.306 . . . . 0.0 110.586 179.702 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.442 ' CE1' ' CZ ' ' A' ' 40' ' ' ARG . 35.8 m-70 -81.59 -35.07 30.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 110.837 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -79.97 -34.37 38.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.451 ' HB2' ' HG3' ' A' ' 109' ' ' MET . 0.3 OUTLIER -77.26 -49.24 15.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.038 -179.538 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.09 -49.94 65.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.191 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.34 -49.58 77.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 m -64.35 -28.37 69.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.66 68.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.026 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.419 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 174.45 132.76 1.6 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.438 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 46.1 mt -67.03 149.78 98.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.59 0.233 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -60.8 -77.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.451 2.101 . . . . 0.0 112.548 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.53 -79.06 0.14 Allowed 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -57.38 -31.92 66.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.483 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -50.76 -34.11 25.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.111 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -77.71 -43.04 32.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.055 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.48 -22.06 19.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.415 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.413 ' CE2' HD11 ' A' ' 123' ' ' LEU . 1.0 OUTLIER -94.51 -51.94 4.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 110.978 -179.752 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.0 p -69.38 -9.82 12.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.83 -32.8 3.91 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.38 -9.88 21.78 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -129.85 -62.98 0.93 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.862 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.73 149.93 0.38 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.947 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.0 160.27 40.35 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.749 2.299 . . . . 0.0 112.42 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -30.27 11.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.5 p -61.17 -44.79 96.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.647 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.13 -31.51 71.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.646 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -77.08 -33.92 57.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.674 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -59.62 -45.23 92.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.777 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -71.14 -27.98 63.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -56.27 -46.94 79.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -73.33 -29.5 62.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -57.89 -65.11 0.69 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.409 ' CD1' ' NE1' ' A' ' 116' ' ' TRP . 4.6 pp -53.61 -40.63 65.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.739 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -69.05 -30.18 68.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.766 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.0 p -55.26 -36.37 66.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.036 0.446 . . . . 0.0 110.315 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -24.07 40.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.529 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 62.5 m -76.38 -34.15 58.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -75.46 -30.91 60.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -37.89 19.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.185 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.0 t -61.98 -44.72 96.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.763 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 40' ' ' ARG . 56.9 mt -58.36 -46.84 85.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.705 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.43 -42.8 74.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.675 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 54.8 mtm -68.39 -29.16 67.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.676 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.55 -52.04 43.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.997 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.454 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 1.9 p30 -87.51 47.49 1.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.014 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.3 tpp -130.29 -47.03 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.039 0.447 . . . . 0.0 110.948 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -51.84 -24.63 6.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.786 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.454 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 18.0 m80 -68.11 71.08 0.16 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.941 0.4 . . . . 0.0 110.748 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.427 ' HA ' ' CB ' ' A' ' 93' ' ' ALA . 3.5 mmt180 -56.48 -25.48 51.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.422 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -100.36 -29.76 12.23 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.449 ' CG ' ' HB3' ' A' ' 87' ' ' HIS . 2.8 mmt -91.93 -44.61 8.81 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.4 t -105.63 -164.93 1.06 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.827 0.346 . . . . 0.0 111.329 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.79 99.65 2.47 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.724 -0.75 . . . . 0.0 113.029 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.427 ' CB ' ' HA ' ' A' ' 88' ' ' ARG . . . -88.45 34.74 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.629 0.252 . . . . 0.0 111.584 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 96' ' ' ILE . 65.0 m -99.26 -114.51 0.16 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.544 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.47 74.74 0.06 OUTLIER Glycine 0 C--N 1.335 0.477 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.356 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 94' ' ' SER . 37.8 pt -119.78 -174.68 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.805 0.336 . . . . 0.0 111.187 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -56.45 164.4 2.03 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -69.18 56.27 1.12 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.835 2.356 . . . . 0.0 112.657 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.98 125.0 0.01 OUTLIER Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.771 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.414 ' HE3' ' HA ' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -139.2 158.44 44.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 110.834 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mt -72.34 136.4 81.45 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.414 ' HA ' ' HE3' ' A' ' 100' ' ' MET . 44.1 Cg_exo -56.11 -19.62 27.61 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.531 2.154 . . . . 0.0 112.75 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.31 -9.01 26.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.698 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.75 -28.27 69.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.934 0.397 . . . . 0.0 110.745 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -79.05 -51.76 9.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.221 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 22.4 m -57.89 -28.31 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.736 0.303 . . . . 0.0 111.156 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -68.43 -57.1 6.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.324 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.87 -19.15 65.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.415 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.451 ' HG3' ' HB2' ' A' ' 43' ' ' LEU . 6.6 tpp -59.8 -66.02 0.58 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.735 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.44 -26.97 55.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.724 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.33 -34.49 72.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.55 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.81 -45.3 68.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.998 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -60.7 -34.64 59.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 23.6 p -58.38 -49.84 75.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.082 0.468 . . . . 0.0 110.014 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -73.34 -46.68 47.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.484 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.419 ' CH2' ' HA2' ' A' ' 48' ' ' GLY . 38.2 m95 -59.94 -54.93 40.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.791 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 54.8 m -52.74 -43.37 65.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.772 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -60.1 -37.86 81.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.595 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.9 ttt -63.33 -36.71 84.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.535 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -55.08 -43.52 74.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.663 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -80.9 -48.16 12.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.014 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.06 -59.46 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.308 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.413 HD11 ' CE2' ' A' ' 56' ' ' PHE . 8.5 tp -53.05 -38.36 62.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -62.96 -47.21 84.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -59.86 -51.56 69.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.73 71.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 13.4 ttm -63.23 -46.68 85.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.716 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 150.72 41.31 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.475 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 22.6 mt -130.66 158.75 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 111.128 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -138.47 108.58 6.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -69.08 154.29 42.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -141.04 86.05 2.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.128 179.92 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.806 0.336 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.473 ' ND2' ' HD2' ' A' ' 102' ' ' PRO . 9.2 m-20 -83.83 -178.0 6.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 m -70.75 162.25 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.044 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.0 t -73.01 169.71 16.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.173 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -38.79 92.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.577 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.0 m -65.56 -35.06 79.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.493 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -72.18 -38.29 69.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.521 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -52.91 -48.53 67.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.049 0.452 . . . . 0.0 110.141 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.443 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 3.4 pp -81.02 -18.0 48.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.741 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.4 t -73.8 -23.66 59.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.847 0.356 . . . . 0.0 110.598 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.458 ' CG1' ' HG2' ' A' ' 109' ' ' MET . 22.5 t -87.69 -35.46 8.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.407 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -75.29 -30.4 60.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.103 179.175 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -70.93 -37.06 72.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.106 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -77.64 -30.19 52.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.888 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.541 ' HG ' ' HG3' ' A' ' 109' ' ' MET . 0.3 OUTLIER -81.3 -50.63 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 -179.623 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.79 -45.37 70.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.9 0.381 . . . . 0.0 111.157 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -59.55 -47.74 84.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -70.62 -26.33 63.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.94 73.55 1.64 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.072 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.411 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 167.64 142.79 3.57 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.548 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.464 HD12 ' CE2' ' A' ' 69' ' ' TYR . 4.6 mt -75.68 122.98 88.17 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.401 0.143 . . . . 0.0 110.773 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.39 -69.15 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.263 1.975 . . . . 0.0 112.428 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -148.46 -80.71 0.13 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.731 0.3 . . . . 0.0 111.521 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -65.74 -28.37 68.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.547 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -50.06 -31.67 13.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.281 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.451 ' CE1' ' CB ' ' A' ' 58' ' ' SER . 32.7 t-80 -79.04 -51.42 9.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.32 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -45.6 -28.14 0.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.185 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.424 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 5.8 t80 -93.47 -59.25 2.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.341 . . . . 0.0 111.247 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.1 p -58.98 -14.36 4.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.451 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 0.3 OUTLIER -117.9 -28.66 5.87 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.117 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.87 -9.79 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -124.32 -65.24 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' PHE . . . -41.0 149.94 0.32 Allowed Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.101 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.32 160.33 39.22 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.888 2.392 . . . . 0.0 112.378 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -47.84 -28.38 2.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.176 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.405 ' N ' ' HG2' ' A' ' 63' ' ' GLN . 73.7 p -59.31 -47.15 86.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.072 0.463 . . . . 0.0 110.629 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.87 -28.76 55.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.984 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -75.43 -51.66 12.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.562 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -57.84 -33.65 68.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.655 0.264 . . . . 0.0 111.178 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.28 -28.57 61.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.86 0.362 . . . . 0.0 110.725 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.464 ' CE2' HD12 ' A' ' 49' ' ' LEU . 6.4 t80 -55.8 -51.72 66.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.795 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -66.03 -34.18 77.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.985 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -60.63 -62.65 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.021 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.6 pp -56.54 -37.83 71.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -74.18 -29.83 61.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.4 t -53.13 -44.89 68.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.953 0.406 . . . . 0.0 110.657 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -73.24 -37.66 66.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.578 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.41 ' HA ' ' OG1' ' A' ' 79' ' ' THR . 57.8 m -54.42 -37.95 65.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -68.31 -57.41 5.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.218 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.73 -28.46 69.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.222 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.41 ' OG1' ' HA ' ' A' ' 76' ' ' THR . 16.8 p -66.77 -55.91 12.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.369 . . . . 0.0 110.795 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.3 mt -53.47 -32.95 52.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.33 -38.46 89.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 47.1 mtm -69.91 -30.42 67.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.408 ' CB ' ' HB3' ' A' ' 40' ' ' ARG . . . -80.26 -35.46 35.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -92.51 40.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.902 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.2 -41.24 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -44.78 -28.89 0.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.803 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.62 53.33 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.784 0.326 . . . . 0.0 110.836 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.7 -32.44 69.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 0.0 110.661 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.45 -57.01 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.736 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.0 mtm -62.25 -61.41 2.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.799 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.6 t -111.74 147.37 35.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.787 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.77 80.0 0.9 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.259 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.47 -71.64 0.08 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.807 0.337 . . . . 0.0 111.344 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.67 -164.51 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -110.32 77.99 0.23 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.427 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 27.0 pt -96.9 -170.26 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.756 0.312 . . . . 0.0 111.153 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.437 ' HB2' ' CD ' ' A' ' 98' ' ' PRO . 1.6 p-10 -47.25 171.08 0.08 OUTLIER Pre-proline 0 C--N 1.332 -0.174 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.694 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.437 ' CD ' ' HB2' ' A' ' 97' ' ' ASN . 22.5 Cg_exo -65.5 54.85 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.623 2.215 . . . . 0.0 112.96 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.28 118.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.044 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.426 ' CE ' ' O ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -89.66 165.37 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 179.466 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.426 ' O ' ' CE ' ' A' ' 100' ' ' MET . 0.6 OUTLIER -63.65 128.14 92.34 Favored Pre-proline 0 C--N 1.329 -0.283 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.582 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.473 ' HD2' ' ND2' ' A' ' 30' ' ' ASN . 31.5 Cg_exo -59.86 -8.64 8.05 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.919 2.413 . . . . 0.0 113.929 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.404 ' HB3' ' ND2' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -98.82 -9.05 24.87 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.667 -179.738 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -64.2 -52.56 58.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.848 0.356 . . . . 0.0 110.734 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -64.01 -33.8 76.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 38.7 t -55.74 -67.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.324 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -52.61 -39.1 61.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.972 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -70.04 -30.91 68.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.541 ' HG3' ' HG ' ' A' ' 43' ' ' LEU . 22.7 tpp -59.77 -58.53 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.15 0.5 . . . . 0.0 110.409 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.417 ' O ' HG23 ' A' ' 113' ' ' ILE . 3.0 mtp180 -55.09 -27.66 46.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.598 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.7 -41.03 80.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.052 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.46 -49.82 61.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.742 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 110' ' ' ARG . 0.5 OUTLIER -62.69 -25.83 39.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.796 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 87.6 m -61.49 -40.5 94.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.029 0.442 . . . . 0.0 110.029 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -85.03 -40.67 16.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.397 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.411 ' CH2' ' N ' ' A' ' 48' ' ' GLY . 43.4 m95 -64.85 -47.26 78.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.586 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.4 m -57.03 -50.33 73.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.341 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -58.19 -29.84 65.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.239 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 12.9 ttm -69.09 -44.18 73.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.433 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -48.99 -39.53 27.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.801 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -82.77 -41.96 18.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.819 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.73 -60.02 3.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.1 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.1 tp -51.32 -45.69 62.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -62.91 -41.4 99.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.803 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -68.9 -48.33 63.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.72 -49.8 76.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.424 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 11.8 ttm -52.56 -34.26 49.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 129.04 46.32 0.18 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.588 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 22.2 mt -130.03 159.65 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 111.092 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -130.15 129.75 43.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -135.46 152.0 50.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -137.33 84.18 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.159 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.817 0.341 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -109.87 174.98 5.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.086 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.5 m -57.38 178.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.265 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 p -83.34 162.69 21.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.956 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -60.9 -42.03 97.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.424 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 t -66.66 -23.78 66.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.486 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -40.13 47.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.615 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.9 -46.07 67.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.109 0.48 . . . . 0.0 109.913 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 pp -81.25 -25.65 36.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.584 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.4 t -59.32 -39.69 83.91 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.989 0.423 . . . . 0.0 110.549 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.6 t -78.16 -34.31 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.906 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.515 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -68.2 -28.43 67.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.422 179.647 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -72.67 -37.86 67.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.667 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -79.63 -30.58 41.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.046 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.444 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -77.79 -67.68 0.7 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.822 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.406 ' CB ' ' CD1' ' A' ' 80' ' ' LEU . . . -45.25 -48.19 12.82 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.794 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -53.85 -57.64 10.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.121 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.9 m -62.72 -27.52 69.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.16 64.72 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.203 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.476 ' N ' ' CZ3' ' A' ' 116' ' ' TRP . . . 179.7 109.6 0.26 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.436 HD21 ' CE2' ' A' ' 69' ' ' TYR . 2.9 mm? -60.35 146.89 83.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.565 0.221 . . . . 0.0 110.585 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -60.99 -82.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.491 2.127 . . . . 0.0 112.388 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -148.25 -67.9 0.23 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.755 0.312 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -58.82 -35.54 73.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.99 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.88 -38.0 74.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.003 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.409 ' HA ' ' CG1' ' A' ' 57' ' ' VAL . 29.6 t-80 -80.26 -33.98 37.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.034 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.53 -18.57 53.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.425 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.4 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 1.2 t80 -98.83 -49.27 4.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.72 0.295 . . . . 0.0 111.113 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.409 ' CG1' ' HA ' ' A' ' 54' ' ' HIS . 14.5 p -65.88 -9.99 9.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.5 p -123.97 -37.81 2.55 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.55 -9.84 39.75 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -130.19 -64.04 0.87 Allowed 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.744 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.96 149.96 0.32 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.05 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.28 160.3 45.31 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.763 2.309 . . . . 0.0 112.512 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.91 -28.59 3.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.22 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.1 m -60.8 -47.25 87.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.694 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.78 -32.34 52.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.606 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -62.59 -53.07 60.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 68' ' ' ARG . 28.1 p30 -60.17 -31.74 70.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.91 0.386 . . . . 0.0 110.203 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.454 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 1.1 ttt180 -66.48 -30.78 71.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.177 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.436 ' CE2' HD21 ' A' ' 49' ' ' LEU . 7.6 t80 -60.05 -57.12 14.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.76 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -74.11 -29.05 61.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.05 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -61.01 -60.98 2.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.417 ' CD1' ' NE1' ' A' ' 116' ' ' TRP . 4.6 pp -58.14 -36.68 73.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.405 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 8.0 t80 -74.79 -31.7 61.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.49 -41.95 63.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.983 0.42 . . . . 0.0 110.508 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -75.26 -31.68 60.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.427 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 52.7 m -64.71 -42.15 95.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.953 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -62.5 -51.81 65.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.382 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -35.07 79.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.64 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.1 p -59.36 -55.76 30.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.704 0.287 . . . . 0.0 111.169 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.515 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 19.6 mt -55.97 -34.67 65.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -57.18 -33.1 67.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.513 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 22.1 mtp -77.73 -27.25 50.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.571 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.409 ' HA ' ' ND2' ' A' ' 105' ' ' ASN . . . -81.86 -38.62 25.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.805 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -92.54 45.65 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.678 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.06 -41.85 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.15 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -48.35 -27.73 2.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.348 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -81.2 60.05 4.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.78 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.57 -30.0 68.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.018 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -81.11 -56.21 4.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.993 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 4.2 mtm -57.66 -64.44 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.047 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.1 t -109.31 152.8 24.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.97 70.26 1.1 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.399 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.4 -65.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 111.163 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.78 -165.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -135.4 69.06 0.53 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.656 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.2 pt -132.26 164.5 34.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.959 0.409 . . . . 0.0 111.178 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -52.77 169.71 0.27 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.941 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 99' ' ' GLY . 6.1 Cg_endo -86.78 28.35 0.54 Allowed 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 123.172 2.582 . . . . 0.0 112.364 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 98' ' ' PRO . . . -20.64 -53.15 0.01 OUTLIER Glycine 0 C--N 1.337 0.625 0 CA-C-N 116.09 -0.505 . . . . 0.0 114.267 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.474 ' CE ' ' O ' ' A' ' 101' ' ' LEU . 2.1 ppp? -101.26 149.84 23.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.849 0.357 . . . . 0.0 111.448 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.474 ' O ' ' CE ' ' A' ' 100' ' ' MET . 47.3 mt -93.16 141.89 24.62 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.812 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -48.56 -15.02 0.41 Allowed 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.984 2.456 . . . . 0.0 114.081 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.482 ' O ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -92.72 -8.67 43.22 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.5 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.444 ' HB2' ' HE1' ' A' ' 100' ' ' MET . 7.7 mt-10 -79.61 -46.32 17.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.764 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.439 ' ND2' ' HE2' ' A' ' 100' ' ' MET . 13.0 p30 -62.49 -41.38 98.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 103' ' ' HIS . 11.2 m -59.48 -45.27 93.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.766 0.317 . . . . 0.0 110.933 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -40.8 93.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.532 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -73.92 -26.5 60.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.813 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -58.89 4.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.919 0.39 . . . . 0.0 110.563 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.33 -28.67 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.619 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.1 m -62.66 -37.94 88.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.458 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.7 -42.96 89.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.78 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -27.47 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.735 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 27.7 m -60.98 -42.01 97.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.995 0.426 . . . . 0.0 110.104 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -82.35 -39.84 22.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.485 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.476 ' CZ3' ' N ' ' A' ' 48' ' ' GLY . 29.5 m95 -66.57 -48.86 68.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.767 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.2 t -54.52 -46.3 73.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.527 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -59.31 -34.41 72.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.534 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 1.8 ttt -65.98 -36.96 84.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.611 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -54.59 -48.52 72.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.782 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -83.26 -42.33 17.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.975 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.94 -60.26 3.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.313 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.4 ' HG ' ' CD2' ' A' ' 56' ' ' PHE . 7.3 tp -54.7 -42.63 71.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -60.33 -49.42 77.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 -59.57 -48.6 81.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.28 75.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 12.5 ttm -60.06 -34.07 72.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 134.26 41.88 0.15 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.546 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 24.1 mt -127.52 155.3 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.342 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -141.75 126.02 17.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -79.0 147.45 32.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -144.21 89.52 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.109 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.844 0.354 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -66.97 146.55 54.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -55.54 156.05 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.005 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.1 p -58.02 149.42 23.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.194 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.85 -35.92 64.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.815 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.72 -26.63 64.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.478 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.53 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 2.3 tp-100 -72.13 -46.06 58.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.743 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.416 ' HB2' ' NE2' ' A' ' 87' ' ' HIS . 3.8 mm? -52.87 -46.41 67.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.195 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 pp -81.39 -24.9 36.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.979 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.53 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 0.6 OUTLIER -59.48 -46.24 89.38 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.795 0.331 . . . . 0.0 110.945 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.449 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . 35.6 t -74.18 -37.57 46.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.477 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -64.82 -26.53 68.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.454 179.807 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.457 ' CE1' ' NH1' ' A' ' 40' ' ' ARG . 23.7 m-70 -73.5 -36.87 65.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.34 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.449 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 5.9 pt20 -79.51 -31.95 42.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.757 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.64 -66.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.932 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.41 -40.86 12.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.49 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -57.68 -57.98 10.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.85 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 31.9 t -65.01 -30.07 71.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.416 ' HA ' ' CE2' ' A' ' 116' ' ' TRP . . . -72.32 68.44 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.6 145.45 6.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -105.1 134.12 19.81 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.597 0.237 . . . . 0.0 110.832 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.64 -78.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.421 2.08 . . . . 0.0 112.342 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -148.12 -67.07 0.24 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.842 0.353 . . . . 0.0 111.126 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.29 -35.15 76.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -58.26 -41.32 83.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.038 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -79.71 -46.96 16.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -54.63 -23.1 15.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.275 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.426 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 1.0 OUTLIER -90.12 -52.42 4.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.99 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.7 p -68.52 -9.83 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.4 p -121.12 -38.9 2.75 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.07 -9.9 35.18 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -128.25 -62.37 1.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.758 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.71 149.95 0.38 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.936 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.99 160.25 48.11 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.779 2.319 . . . . 0.0 112.451 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -49.46 -32.45 12.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.4 m -60.45 -45.07 95.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.732 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.87 -34.41 76.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.684 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -70.31 -32.91 70.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.812 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -59.56 -48.22 82.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.813 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -73.79 -25.7 60.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -54.75 -62.1 1.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.146 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -70.15 -29.79 66.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.254 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -58.05 -63.89 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.245 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.41 ' CD1' ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -54.0 -39.11 65.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.298 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 6.0 t80 -74.77 -28.66 60.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.229 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.0 p -52.13 -51.68 56.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.956 0.408 . . . . 0.0 110.557 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -37.23 85.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.433 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 87.9 m -56.05 -48.06 76.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.973 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -60.0 -31.05 69.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -86.19 -32.33 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.981 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 81.2 p -62.07 -52.09 65.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.157 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.477 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 20.7 mt -62.0 -29.01 69.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.822 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -60.07 4.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.787 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 53.8 mtm -56.37 -26.82 54.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.849 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.03 -54.27 11.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.453 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 1.3 t70 -81.74 49.96 1.43 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.251 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -130.55 -47.67 1.06 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.924 0.392 . . . . 0.0 111.041 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -61.18 -16.63 46.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.917 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 91' ' ' THR . 53.4 m80 -66.08 71.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.828 0.347 . . . . 0.0 111.254 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.2 mtm-85 -55.78 -22.38 24.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.207 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -100.07 -31.32 11.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.808 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.419 ' CG ' ' HB3' ' A' ' 87' ' ' HIS . 5.2 mmt -91.33 -51.53 5.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.617 0.246 . . . . 0.0 111.568 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 87' ' ' HIS . 12.1 t -111.16 -165.31 0.98 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.792 0.33 . . . . 0.0 111.088 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.89 101.58 2.74 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.67 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -93.0 34.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.721 0.296 . . . . 0.0 111.402 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 96' ' ' ILE . 22.6 p -99.61 -114.48 0.16 Allowed 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.657 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.42 75.93 0.04 OUTLIER Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.429 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 94' ' ' SER . 10.2 pt -116.02 -175.23 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.821 0.343 . . . . 0.0 111.185 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.49 167.68 0.17 Allowed Pre-proline 0 C--N 1.332 -0.156 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.959 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -69.49 53.63 1.01 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.743 2.295 . . . . 0.0 112.572 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 43.91 84.12 0.02 OUTLIER Glycine 0 C--N 1.333 0.41 0 C-N-CA 121.138 -0.553 . . . . 0.0 113.251 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.73 179.98 6.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.69 0.281 . . . . 0.0 110.619 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 10.8 mt -59.89 133.22 89.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.604 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -56.48 -23.92 50.18 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.554 2.169 . . . . 0.0 112.889 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.54 -8.79 18.78 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -51.93 -29.89 22.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.874 0.369 . . . . 0.0 111.069 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -79.13 -53.73 6.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.383 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.5 m -63.62 -46.24 95.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.444 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.1 -55.59 33.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.874 0.368 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -62.66 -26.08 68.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -50.25 70.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.888 0.375 . . . . 0.0 110.631 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -57.99 -29.54 65.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.618 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.1 m -63.75 -38.8 92.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.746 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.2 -45.43 91.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.035 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -26.53 41.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.911 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 34.5 m -60.21 -40.98 92.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.028 0.442 . . . . 0.0 110.117 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.31 -41.94 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.411 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.416 ' CE2' ' HA ' ' A' ' 47' ' ' ALA . 41.1 m95 -63.19 -47.77 81.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.655 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 25.8 t -56.58 -49.62 74.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.456 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -59.55 -31.82 69.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.448 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.2 ttt -72.71 -32.9 66.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.519 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -43.82 74.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.56 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -84.0 -35.91 23.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.869 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.24 -59.99 2.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.15 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.418 HD13 ' CE2' ' A' ' 56' ' ' PHE . 5.6 tp -53.88 -44.72 70.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.071 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -59.24 -49.9 76.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -58.68 -50.47 73.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.014 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.15 -39.73 93.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.426 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 12.0 ttm -59.13 -33.61 71.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 135.04 39.89 0.17 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.575 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.418 HG23 HD11 ' A' ' 129' ' ' ILE . 33.0 mt -122.79 156.43 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.778 0.323 . . . . 0.0 111.036 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.5 136.04 49.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -99.67 152.22 20.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -144.83 89.89 2.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.106 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.787 0.327 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -88.11 -177.4 5.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.6 m -84.79 151.14 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.032 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.405 HG22 ' HB2' ' A' ' 35' ' ' GLN . 12.4 t -59.23 160.6 6.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.298 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.1 m -60.5 -29.64 69.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.6 m -67.9 -36.07 79.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.64 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.405 ' HB2' HG22 ' A' ' 32' ' ' THR . 0.0 OUTLIER -77.47 -33.44 54.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.639 179.764 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -52.89 -48.46 67.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.207 0.527 . . . . 0.0 109.909 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 pp -81.12 -21.84 39.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.477 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.0 t -58.76 -42.93 90.06 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 120.888 0.375 . . . . 0.0 110.76 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.9 t -77.56 -43.12 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.407 ' HA ' HD21 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -61.53 -25.15 67.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.518 179.801 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -78.16 -34.38 49.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.827 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -84.92 -27.95 26.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.433 ' HB3' HD23 ' A' ' 80' ' ' LEU . 1.3 tm? -80.59 -54.83 5.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.942 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.48 ' N ' HD23 ' A' ' 80' ' ' LEU . . . -56.7 -50.21 72.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.147 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.83 -44.38 82.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.823 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 t -75.66 -23.23 56.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.94 68.0 0.29 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.019 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.425 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 171.85 173.81 38.93 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.446 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.8 mt -111.02 158.01 37.07 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.594 0.235 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -66.91 -77.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.575 2.183 . . . . 0.0 112.48 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.59 -76.46 0.16 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.87 0.367 . . . . 0.0 111.338 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.68 -40.73 80.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.316 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -27.59 26.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.229 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.4 ' HA ' HG13 ' A' ' 57' ' ' VAL . 18.8 t-80 -86.5 -40.82 14.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.881 0.372 . . . . 0.0 111.009 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -16.71 51.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.437 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -98.09 -35.09 10.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.465 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.4 HG13 ' HA ' ' A' ' 54' ' ' HIS . 14.8 p -79.06 -9.96 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.13 -41.95 2.3 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.94 -9.78 54.83 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -130.89 -61.03 0.95 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.13 149.9 0.66 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.947 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.38 160.33 35.69 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.916 2.41 . . . . 0.0 112.484 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.42 -30.39 5.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.02 -44.93 96.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.472 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.72 -33.59 71.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.503 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -74.92 -33.02 61.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.767 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -58.74 -46.02 88.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.937 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -73.32 -33.39 65.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -59.69 -55.3 36.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -70.01 -29.98 67.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.025 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -64.97 -57.7 8.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.041 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.407 HD11 ' CE2' ' A' ' 116' ' ' TRP . 4.4 pp -59.34 -31.69 69.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -79.23 -30.35 43.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.148 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 m -54.55 -54.01 46.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.969 0.414 . . . . 0.0 110.58 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -63.88 -37.52 87.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.442 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 85.8 m -56.23 -43.42 78.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.798 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.43 -36.3 75.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.687 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.66 -36.29 26.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.755 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 60.1 p -56.34 -47.76 78.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.48 HD23 ' N ' ' A' ' 44' ' ' ALA . 5.3 mt -67.81 -37.08 81.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.74 -44.96 70.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.6 mtp -66.69 -27.71 67.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.747 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.01 -60.88 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.428 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 2.6 p30 -82.63 56.62 3.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.1 tpp -130.21 -48.67 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -55.46 -23.34 24.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.792 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.428 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 16.5 m80 -67.56 71.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.003 0.43 . . . . 0.0 111.053 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -50.25 -25.06 3.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.689 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -90.45 -41.94 11.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.635 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 4.7 mtm -82.0 -53.46 6.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.646 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.408 HG21 ' O ' ' A' ' 87' ' ' HIS . 11.6 t -106.78 -169.47 1.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 0.0 111.11 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.98 98.87 2.34 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.636 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -94.08 34.53 1.24 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.713 0.292 . . . . 0.0 111.266 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 96' ' ' ILE . 15.1 p -99.58 -114.25 0.17 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.785 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.23 78.23 0.01 OUTLIER Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.665 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 94' ' ' SER . 33.2 pt -117.44 -175.1 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.805 0.336 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -51.74 166.74 0.36 Allowed Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.61 56.91 0.98 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.761 2.307 . . . . 0.0 112.358 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 71.77 124.19 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.49 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -133.1 166.55 22.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 0.0 110.81 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mt -96.76 135.59 22.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.685 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -56.59 -23.35 48.04 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.456 2.104 . . . . 0.0 112.686 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.94 -8.85 45.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.643 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -72.13 -29.69 64.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.936 0.398 . . . . 0.0 110.434 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -78.4 -47.55 17.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.077 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 107' ' ' ASP . 22.1 m -58.4 -44.12 87.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.258 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.401 ' N ' HG23 ' A' ' 106' ' ' VAL . 66.1 m-20 -59.95 -50.91 71.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.749 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -66.09 -29.28 69.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -48.67 77.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.611 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -57.19 -32.88 66.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.682 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.2 m -60.18 -38.69 83.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.738 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.46 94.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.215 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.68 -31.8 54.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.353 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 15.8 p -57.49 -51.81 67.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.021 0.439 . . . . 0.0 110.351 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -71.93 -47.13 54.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.729 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.425 ' CH2' ' HA2' ' A' ' 48' ' ' GLY . 53.9 m95 -60.27 -54.3 47.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.4 m -54.03 -47.25 71.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.025 0.44 . . . . 0.0 110.58 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -60.41 -32.69 71.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.547 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.4 ttt -73.17 -35.64 66.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.661 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -44.28 63.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.668 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -80.86 -38.81 27.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.047 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.38 -58.68 4.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.196 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 tp -50.98 -43.74 60.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.37 -40.76 83.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.776 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -64.91 -54.86 24.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.53 -29.37 69.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 16.5 ttm -64.07 -33.88 76.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 130.88 36.04 0.37 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.799 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 2.2 mp -132.82 159.54 43.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.765 0.316 . . . . 0.0 111.017 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -133.39 132.83 41.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -95.98 144.31 26.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.07 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -140.81 87.41 2.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.113 179.902 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.459 0 CA-C-O 120.78 0.324 . . . . 0.0 111.258 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -142.46 134.89 27.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -46.7 170.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.288 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.0 m -57.6 127.19 30.78 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.709 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 p -47.43 -35.27 8.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.287 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 m -70.35 -32.84 70.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.434 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.7 -43.42 89.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.538 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -53.01 -50.61 63.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.09 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.478 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 1.4 pp -81.39 -17.5 48.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.198 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.1 t -67.93 -31.87 71.93 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.743 0.306 . . . . 0.0 111.173 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.0 m -88.32 -37.04 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.334 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.478 ' CG ' ' HA ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -63.53 -24.76 67.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.954 0.406 . . . . 0.0 110.404 179.492 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -84.19 -36.26 22.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.452 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -30.42 30.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.49 -58.68 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.998 -179.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.426 ' N ' HD22 ' A' ' 80' ' ' LEU . . . -53.42 -43.04 67.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.359 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -57.38 -47.5 81.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.994 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 m -74.64 -25.92 59.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.034 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.96 73.65 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.066 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.421 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 162.95 118.87 0.47 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.582 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.9 mt -65.67 149.35 97.46 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.676 0.274 . . . . 0.0 110.829 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.09 -82.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.553 2.169 . . . . 0.0 112.446 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.09 -68.45 0.23 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.772 0.32 . . . . 0.0 110.994 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -32.27 71.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.731 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -36.23 82.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.445 ' CE1' ' CB ' ' A' ' 58' ' ' SER . 22.8 t-80 -84.19 -39.11 19.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -54.55 -22.52 13.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.431 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -93.88 -54.41 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.759 0.314 . . . . 0.0 111.214 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.3 p -65.14 -9.96 8.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.445 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 2.1 m -121.94 -28.99 4.35 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.41 -9.83 16.56 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -179.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -127.15 -62.15 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.704 0.288 . . . . 0.0 111.706 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.68 149.96 0.37 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.001 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.91 160.29 46.29 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.813 2.342 . . . . 0.0 112.56 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -48.85 -29.0 4.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.353 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -59.88 -47.25 86.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.816 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.31 -32.01 55.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.719 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -62.28 -53.12 59.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 68' ' ' ARG . 28.4 p30 -60.01 -31.89 70.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.894 0.378 . . . . 0.0 110.233 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.442 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 0.5 OUTLIER -66.43 -30.99 71.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.172 179.07 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -59.76 -65.18 0.72 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.922 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -57.94 -25.56 61.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.272 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -58.37 -68.22 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.249 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.5 pp -56.57 -36.56 69.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.136 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -71.84 -29.9 64.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.0 -48.33 73.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.968 0.414 . . . . 0.0 110.511 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -73.14 -21.58 60.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.729 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.418 ' HA ' ' CG2' ' A' ' 79' ' ' THR . 19.8 m -76.39 -36.77 57.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.084 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -75.29 -22.7 57.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.373 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.32 -26.85 15.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.506 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.418 ' CG2' ' HA ' ' A' ' 76' ' ' THR . 11.5 t -75.24 -42.32 55.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.344 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 44' ' ' ALA . 20.3 mt -57.04 -35.35 69.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.116 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.71 -43.45 98.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.3 mtm -61.39 -21.26 63.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.209 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.1 -40.09 53.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.763 0.316 . . . . 0.0 111.157 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.428 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 2.0 t0 -86.97 43.74 1.12 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.322 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.443 ' HA ' HG23 ' A' ' 91' ' ' THR . 28.7 mtp -130.55 -44.78 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.992 0.425 . . . . 0.0 111.038 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -52.43 -27.37 15.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.218 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 90' ' ' MET . 11.6 m80 -67.27 71.38 0.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.94 0.4 . . . . 0.0 111.248 -179.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.446 ' HA ' ' CB ' ' A' ' 93' ' ' ALA . 5.9 mtm-85 -48.06 -24.63 1.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.941 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -99.24 -51.83 3.7 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.447 ' HB2' ' HB3' ' A' ' 87' ' ' HIS . 0.2 OUTLIER -69.07 -34.41 75.1 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -179.14 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.443 HG23 ' HA ' ' A' ' 85' ' ' MET . 7.3 t -119.73 -173.0 2.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.839 0.352 . . . . 0.0 111.143 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -95.01 102.29 2.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.754 . . . . 0.0 113.078 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.446 ' CB ' ' HA ' ' A' ' 88' ' ' ARG . . . -97.34 34.44 1.79 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.869 0.366 . . . . 0.0 110.972 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 96' ' ' ILE . 20.4 p -99.42 -114.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.774 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.23 78.26 0.01 OUTLIER Glycine 0 C--N 1.335 0.513 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.662 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 94' ' ' SER . 20.5 pt -123.38 -175.61 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.863 0.363 . . . . 0.0 111.13 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.75 166.27 0.31 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.02 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -71.65 56.87 2.36 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.801 2.334 . . . . 0.0 112.207 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.54 125.2 0.61 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.624 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.405 ' HG2' ' N ' ' A' ' 101' ' ' LEU . 6.2 ttp -131.41 143.16 50.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 110.774 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.405 ' N ' ' HG2' ' A' ' 100' ' ' MET . 14.7 mt -70.47 151.97 95.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.36 -39.32 2.92 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.667 2.244 . . . . 0.0 112.801 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.36 -8.83 59.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.709 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -52.15 -58.01 7.87 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.933 0.397 . . . . 0.0 110.789 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -60.2 -46.44 89.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.707 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.43 -44.37 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.223 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -56.78 -55.06 39.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.804 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.9 -22.8 64.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -66.07 0.55 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.845 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -30.32 63.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.866 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.5 t -58.44 -36.25 73.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.66 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.61 -47.54 72.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.727 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.89 -28.33 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.619 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.7 m -59.69 -38.86 82.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.266 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -87.16 -42.04 13.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.324 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.421 ' CH2' ' HA2' ' A' ' 48' ' ' GLY . 56.2 m95 -62.21 -49.77 74.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.488 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.4 t -58.17 -49.73 76.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.366 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -60.75 -32.62 71.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.431 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.3 ttt -65.37 -43.98 89.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.682 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -52.27 -39.77 60.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.816 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -83.05 -34.91 26.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.63 -59.38 2.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.73 -44.12 66.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.977 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -57.9 -36.29 72.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -74.12 -45.72 47.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.84 81.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.078 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 11.8 ttm -60.14 -49.38 77.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 157.65 42.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.534 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 37.2 mt -132.93 158.79 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.121 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -110.65 127.98 55.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -70.38 155.05 41.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -149.81 79.9 1.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.784 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.017 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.85 0.357 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.4 ' ND2' ' CD2' ' A' ' 103' ' ' HIS . 23.2 m120 -84.61 -173.1 4.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.6 m -104.35 179.67 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.9 t -78.5 168.91 19.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.114 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.34 -37.89 89.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.801 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.3 m -65.88 -39.82 91.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.594 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.08 -38.03 81.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.56 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -52.98 -51.03 62.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.187 0.518 . . . . 0.0 110.082 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.466 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 3.2 pp -80.98 -15.51 56.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.967 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.3 t -71.13 -27.59 63.68 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-O 120.828 0.347 . . . . 0.0 110.699 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.4 t -88.05 -37.75 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.773 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.466 ' CG ' ' HA ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -69.69 -28.89 66.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.301 179.476 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -75.79 -36.54 59.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.324 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.0 -31.07 31.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -78.48 -57.22 3.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.412 ' N ' HD21 ' A' ' 80' ' ' LEU . . . -54.41 -39.55 67.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.231 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.04 -49.91 76.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.37 -28.53 64.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.15 75.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.111 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.446 ' N ' ' CZ3' ' A' ' 116' ' ' TRP . . . 162.97 128.17 0.93 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.544 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.5 mt -71.8 146.12 90.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.645 0.259 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.72 -79.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.631 2.221 . . . . 0.0 112.51 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.09 -73.11 0.2 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.754 0.312 . . . . 0.0 110.973 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.43 -30.75 67.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -30.57 70.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.401 ' HA ' HG11 ' A' ' 57' ' ' VAL . 28.9 t-80 -85.57 -37.61 19.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -60.21 -18.43 48.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.451 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.422 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 0.7 OUTLIER -94.71 -55.98 2.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.724 0.297 . . . . 0.0 111.096 -179.713 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.401 HG11 ' HA ' ' A' ' 54' ' ' HIS . 10.5 p -63.89 -10.43 7.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.7 p -120.72 -41.33 2.58 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.9 -9.81 41.87 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -126.9 -63.64 1.05 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.697 0.284 . . . . 0.0 111.658 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.48 150.01 0.55 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.852 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.8 160.24 48.47 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.693 2.262 . . . . 0.0 112.312 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.48 -30.25 7.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.8 m -62.17 -46.92 86.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.764 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.49 -30.73 71.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.726 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -73.15 -32.94 65.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -59.86 -48.49 81.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -29.07 69.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.958 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -57.41 -62.37 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -68.2 -25.24 65.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -61.95 2.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.999 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.4 pp -58.96 -31.94 69.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.06 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -78.85 -31.55 45.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.965 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.4 t -55.12 -41.39 71.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.49 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -81.2 -23.23 38.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.727 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 86.0 m -77.69 -40.94 39.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -69.15 -32.28 71.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.258 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -25.63 32.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.17 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.5 p -77.74 -42.93 32.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.412 HD21 ' N ' ' A' ' 44' ' ' ALA . 21.3 mt -55.53 -35.85 66.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.791 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.38 -41.21 96.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.579 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 45.9 mtm -57.96 -37.87 74.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.726 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.65 -63.24 1.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.613 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.421 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -84.39 53.81 2.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.987 179.753 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -118.9 -48.24 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.461 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.489 ' O ' ' C ' ' A' ' 87' ' ' HIS . 7.4 mt-30 -64.0 -92.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.965 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.489 ' C ' ' O ' ' A' ' 86' ' ' GLN . 28.2 m80 18.99 71.06 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.21 -11.35 20.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.613 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -92.62 -29.82 15.93 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.402 ' HG2' ' HB3' ' A' ' 87' ' ' HIS . 2.8 ptp -116.5 -36.74 3.88 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.2 t -112.59 -173.96 2.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.979 0.418 . . . . 0.0 111.376 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.91 99.68 2.46 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.609 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -91.65 34.53 0.98 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.724 0.297 . . . . 0.0 111.315 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 96' ' ' ILE . 11.1 p -99.47 -114.24 0.16 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.687 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -55.2 82.32 0.01 OUTLIER Glycine 0 C--N 1.338 0.644 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.776 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 94' ' ' SER . 24.6 pt -109.52 -179.25 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.042 0.448 . . . . 0.0 111.384 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.491 ' HB2' ' HD2' ' A' ' 98' ' ' PRO . 1.0 OUTLIER -48.02 166.28 0.21 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.535 179.268 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.491 ' HD2' ' HB2' ' A' ' 97' ' ' ASN . 74.3 Cg_endo -83.11 59.05 6.5 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.332 2.021 . . . . 0.0 112.588 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 100.27 125.3 5.48 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.965 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.4 ttp -168.21 141.93 3.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.826 0.346 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.35 135.55 43.96 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.568 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -51.85 -20.63 10.22 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.611 2.208 . . . . 0.0 113.046 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.413 ' O ' HG21 ' A' ' 106' ' ' VAL . 8.3 p80 -98.56 -8.87 25.77 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -60.05 -28.24 67.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.929 0.395 . . . . 0.0 110.768 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -78.94 -52.04 8.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.358 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 107' ' ' ASP . 32.5 m -57.83 -45.07 87.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.728 0.299 . . . . 0.0 111.474 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.435 ' N ' HG23 ' A' ' 106' ' ' VAL . 0.3 OUTLIER -62.71 -44.22 96.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.933 0.397 . . . . 0.0 110.761 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -74.44 -28.27 60.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -60.32 2.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.883 0.373 . . . . 0.0 110.616 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -34.87 19.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.686 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.0 m -61.24 -34.61 75.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.452 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.39 91.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.718 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -29.58 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.634 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 91.2 m -61.09 -38.02 84.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.145 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -84.64 -42.97 14.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.343 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.446 ' CZ3' ' N ' ' A' ' 48' ' ' GLY . 44.7 m95 -63.9 -51.66 63.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.423 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.6 m -54.33 -44.79 72.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.367 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -60.84 -32.87 72.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.363 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.5 ttt -68.41 -37.11 80.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.562 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -54.96 -41.71 71.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.596 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.0 -42.56 17.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.921 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.92 -59.9 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.422 ' HG ' ' CD2' ' A' ' 56' ' ' PHE . 6.3 tp -53.21 -42.58 66.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -58.74 -49.68 76.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -60.29 -51.41 69.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.23 -35.97 78.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.999 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 30.7 ttm -58.34 -27.8 64.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 132.14 32.98 0.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.621 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 24.2 mt -123.06 159.68 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.34 . . . . 0.0 110.996 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -137.27 123.17 20.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.99 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.29 146.65 50.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.01 87.09 1.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.2 mp . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.104 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.818 0.342 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -124.46 142.06 51.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.974 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.24 173.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.0 t -66.45 143.68 56.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.09 -30.72 49.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.264 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -68.9 -33.63 74.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -69.4 -42.32 75.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.814 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.92 -49.5 65.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.085 0.469 . . . . 0.0 110.104 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.431 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 2.5 pp -80.99 -16.81 52.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.03 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.7 t -66.88 -28.23 68.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.81 0.338 . . . . 0.0 110.721 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.431 ' HB ' ' HG2' ' A' ' 109' ' ' MET . 6.1 m -90.93 -38.21 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.431 ' CG ' ' HA ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -65.14 -26.21 68.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.897 0.379 . . . . 0.0 110.112 179.335 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -84.44 -34.66 23.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.497 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.8 -35.65 38.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.449 ' CG ' ' HG3' ' A' ' 109' ' ' MET . 0.0 OUTLIER -72.3 -64.44 0.95 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.853 0.358 . . . . 0.0 110.891 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.04 -37.2 20.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.484 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -58.39 -47.88 82.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.67 -27.85 45.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.998 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 48' ' ' GLY . . . -65.03 -163.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.508 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 33.97 102.51 0.01 OUTLIER Glycine 0 CA--C 1.522 0.528 0 CA-C-N 115.981 -0.554 . . . . 0.0 114.224 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.48 HD13 ' HD2' ' A' ' 50' ' ' PRO . 2.2 mm? -50.5 163.47 0.46 Allowed Pre-proline 0 N--CA 1.463 0.214 0 O-C-N 122.842 -0.211 . . . . 0.0 110.599 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.48 ' HD2' HD13 ' A' ' 49' ' ' LEU . 41.8 Cg_endo -69.44 -87.23 0.0 OUTLIER 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.363 2.042 . . . . 0.0 112.537 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.18 -67.77 0.24 Allowed 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.831 0.348 . . . . 0.0 111.123 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -56.17 -37.92 70.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.108 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -25.72 33.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.407 ' HA ' ' CG1' ' A' ' 57' ' ' VAL . 26.8 t-80 -82.19 -40.81 21.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.874 0.369 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -56.93 -21.24 28.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.497 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -97.44 -50.29 4.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.739 0.304 . . . . 0.0 111.307 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.407 ' CG1' ' HA ' ' A' ' 54' ' ' HIS . 13.9 p -65.82 -9.96 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.6 t -122.18 -37.96 2.76 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.41 -9.73 40.6 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -130.64 -63.27 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.863 0.319 . . . . 0.0 111.863 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.62 151.17 0.32 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.12 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.68 160.38 46.52 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.803 2.335 . . . . 0.0 112.549 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -46.12 -42.22 13.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.329 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.93 -35.13 63.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.985 0.422 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.53 -29.22 30.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.791 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -77.02 -53.08 8.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.51 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -59.73 -35.77 75.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.072 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -72.59 -28.37 62.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.799 0.333 . . . . 0.0 110.77 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.432 ' CE2' HD23 ' A' ' 49' ' ' LEU . 7.3 t80 -56.55 -59.99 4.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -71.34 -28.49 64.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.164 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -58.46 -64.19 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.017 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.434 ' CD1' ' NE1' ' A' ' 116' ' ' TRP . 4.2 pp -55.93 -29.86 60.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.419 ' CE2' ' HG3' ' A' ' 77' ' ' GLN . 8.4 t80 -78.57 -35.7 45.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.4 m -49.15 -43.9 42.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.895 0.379 . . . . 0.0 110.43 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -73.32 -33.65 65.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.101 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 99.8 m -66.58 -55.37 15.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.629 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.419 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 2.0 mt-30 -50.09 -36.28 28.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.236 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.35 -44.72 24.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.1 p -55.45 -28.2 52.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.961 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.421 ' HA ' ' HE1' ' A' ' 109' ' ' MET . 18.2 mt -75.2 -32.17 61.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.693 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -64.05 -48.4 76.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.576 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.2 mtp -61.11 -19.14 61.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.875 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.31 23.87 5.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.523 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -142.58 22.74 1.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.695 0.283 . . . . 0.0 111.198 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.426 ' CE ' HG23 ' A' ' 96' ' ' ILE . 2.8 tpt -130.39 -34.4 1.6 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -53.05 -23.28 7.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.417 ' CD2' ' HE2' ' A' ' 90' ' ' MET . 9.4 m80 -70.77 71.27 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 111.437 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -67.31 -12.31 59.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.428 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -100.16 -32.89 10.68 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.417 ' HE2' ' CD2' ' A' ' 87' ' ' HIS . 0.2 OUTLIER -100.27 -54.63 2.82 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.454 ' CG2' ' O ' ' A' ' 91' ' ' THR . 15.3 t -157.9 74.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.048 0.451 . . . . 0.0 111.48 -179.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.406 ' HA3' ' O ' ' A' ' 85' ' ' MET . . . 174.83 44.71 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.379 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -110.57 30.42 6.83 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.95 0.405 . . . . 0.0 111.18 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 m -127.27 -159.33 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.422 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -54.15 91.11 0.01 OUTLIER Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.419 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.426 HG23 ' CE ' ' A' ' 85' ' ' MET . 25.3 pt -91.62 -178.86 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 111.37 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.417 ' ND2' ' HG2' ' A' ' 100' ' ' MET . 0.9 OUTLIER -58.45 167.12 1.87 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.958 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -74.41 55.46 3.63 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.903 2.402 . . . . 0.0 112.405 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 57.3 107.94 0.01 OUTLIER Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.876 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.417 ' HG2' ' ND2' ' A' ' 97' ' ' ASN . 1.1 ptt? -138.04 -179.74 5.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.769 0.318 . . . . 0.0 110.757 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.41 ' O ' ' CE ' ' A' ' 100' ' ' MET . 3.6 mt -78.78 146.81 69.57 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.759 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.93 -39.93 3.88 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.501 2.134 . . . . 0.0 112.731 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -78.52 -8.67 58.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.698 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.406 ' CG ' ' HB2' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -44.24 -63.24 0.92 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.843 0.354 . . . . 0.0 111.219 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -59.58 -53.05 62.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.6 t -46.3 -61.3 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.588 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.41 -55.83 29.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.078 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.03 -21.29 44.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.361 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.449 ' HG3' ' CG ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -67.17 -60.27 2.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.877 -179.833 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -52.07 -25.49 8.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.8 t -65.87 -39.96 91.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.128 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.11 -43.28 98.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.662 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.54 -28.69 45.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.707 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 79.2 m -61.4 -39.23 89.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.069 0.462 . . . . 0.0 110.129 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -86.73 -38.92 16.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.515 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.508 ' CH2' ' N ' ' A' ' 48' ' ' GLY . 37.0 m95 -68.9 -45.88 69.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.015 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 54.6 m -62.21 -43.49 98.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.035 0.445 . . . . 0.0 110.189 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -61.76 -34.27 75.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.417 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.0 ttt -72.26 -36.33 69.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.697 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -51.69 -44.2 63.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.78 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -81.89 -39.65 23.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.01 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.27 -59.44 3.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.189 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.8 tp -52.48 -42.48 64.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.227 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -54.11 49.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.831 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 44.8 m170 -59.75 -45.46 92.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.022 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.88 84.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.266 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 10.2 ttm -58.51 -30.76 67.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 136.42 41.65 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.575 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 12.0 mt -132.33 158.5 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.756 0.312 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -138.67 111.97 8.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.986 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -106.24 154.54 20.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.075 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -143.07 88.97 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.101 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.819 0.342 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.401 ' HB3' ' HB3' ' A' ' 102' ' ' PRO . 4.4 m-20 -125.17 144.32 50.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.01 162.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.069 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 t -61.4 137.44 58.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.712 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.4 m -54.78 -26.37 34.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 82.3 p -70.74 -35.61 72.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.488 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 1.3 tm0? -69.54 -41.89 75.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.014 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.5 mt -52.91 -48.62 67.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.072 0.463 . . . . 0.0 110.385 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 pp -81.15 -22.38 39.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.832 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.488 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 5.7 m -59.69 -33.77 72.02 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.869 0.366 . . . . 0.0 110.492 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.418 ' HB ' ' HG2' ' A' ' 109' ' ' MET . 10.6 m -85.15 -41.78 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.348 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.411 ' NH1' ' NE2' ' A' ' 41' ' ' HIS . 0.0 OUTLIER -59.49 -25.27 64.31 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.141 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.411 ' NE2' ' NH1' ' A' ' 40' ' ' ARG . 4.5 m-70 -78.97 -38.34 37.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.255 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -81.08 -31.08 34.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.993 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.487 ' HG ' ' HG3' ' A' ' 109' ' ' MET . 0.0 OUTLIER -71.67 -64.22 0.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.7 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.42 -37.71 49.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.422 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.84 -57.86 9.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.025 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.2 m -68.57 -28.71 67.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.48 74.36 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.203 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.98 140.36 2.85 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.406 ' CD1' HG12 ' A' ' 57' ' ' VAL . 38.9 mt -82.75 141.71 44.75 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.516 0.198 . . . . 0.0 110.765 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -55.24 -76.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.285 1.99 . . . . 0.0 112.554 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.61 -72.29 0.2 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.771 0.319 . . . . 0.0 111.52 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.38 -37.04 79.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.422 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -25.86 9.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.275 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -86.11 -39.18 17.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.877 0.37 . . . . 0.0 111.038 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.31 -17.32 28.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.682 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -98.67 -47.58 5.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.722 0.296 . . . . 0.0 111.214 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.406 HG12 ' CD1' ' A' ' 49' ' ' LEU . 13.3 p -68.19 -9.93 11.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 93.7 p -123.8 -37.79 2.57 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.92 -9.81 47.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -134.16 -60.55 0.81 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.911 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.65 149.99 0.3 Allowed Pre-proline 0 N--CA 1.463 0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.084 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -73.86 160.33 43.58 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.801 2.334 . . . . 0.0 112.544 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -46.93 -41.87 16.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.231 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.1 p -55.01 -33.12 62.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.031 0.443 . . . . 0.0 110.599 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.11 -33.35 33.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.661 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -77.01 -53.06 8.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.548 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.7 p30 -58.09 -34.07 69.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.262 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -74.05 -26.96 60.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.845 0.355 . . . . 0.0 110.739 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -57.88 -59.73 4.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.0 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.66 -28.86 70.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.988 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.43 -67.18 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.02 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.41 ' CD1' ' N ' ' A' ' 73' ' ' TYR . 4.5 pp -54.27 -39.76 67.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.017 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 6.2 t80 -68.9 -33.57 73.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.71 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.39 -37.01 55.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.097 0.475 . . . . 0.0 110.268 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.99 -26.81 48.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.569 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.444 ' HA ' HG22 ' A' ' 79' ' ' THR . 61.9 m -75.51 -36.47 60.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.187 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.73 -25.4 59.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.447 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.14 -27.26 16.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.603 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.444 HG22 ' HA ' ' A' ' 76' ' ' THR . 13.0 t -71.9 -46.89 56.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.345 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.408 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 4.8 mt -49.33 -35.26 17.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.851 0.358 . . . . 0.0 110.932 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -55.93 -32.81 64.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.604 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 46.0 mtm -71.01 -24.98 62.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.762 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.33 -37.88 56.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.122 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.493 ' HA ' ' HE1' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -94.79 46.14 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.91 -63.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.036 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -34.72 -62.35 0.36 Allowed 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -178.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.493 ' HE1' ' HA ' ' A' ' 84' ' ' ASP . 1.7 p80 -70.74 57.87 0.2 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.861 0.362 . . . . 0.0 111.144 -179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.462 ' HA ' HG22 ' A' ' 91' ' ' THR . 0.1 OUTLIER -46.5 -28.44 1.4 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.467 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -62.37 -29.99 70.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -109.65 -3.05 17.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.793 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.462 HG22 ' HA ' ' A' ' 88' ' ' ARG . 7.9 t -130.27 -139.64 0.22 Allowed 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.41 112.21 4.31 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.591 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 88' ' ' ARG . . . -95.36 34.17 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.729 0.299 . . . . 0.0 111.414 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.78 -172.29 2.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.744 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -51.1 93.4 0.01 OUTLIER Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.679 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.5 pt -94.52 -177.94 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 111.169 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.45 165.23 0.7 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.016 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -73.89 57.28 3.79 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.87 2.38 . . . . 0.0 112.194 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.42 125.06 1.47 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.668 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.6 ttp -132.7 141.31 48.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 0.0 110.716 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.0 mt -69.99 153.7 95.2 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.401 ' HB3' ' HB3' ' A' ' 30' ' ' ASN . 74.0 Cg_endo -75.34 -36.28 2.44 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.65 2.234 . . . . 0.0 112.72 -179.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -87.96 -8.97 54.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.633 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.27 -50.48 72.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.968 0.414 . . . . 0.0 110.74 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -63.37 -37.84 88.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.798 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 26.5 t -68.53 -57.67 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.159 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.55 -49.27 75.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.032 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.07 -24.71 67.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.487 ' HG3' ' HG ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -68.65 -61.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.826 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -21.39 32.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.976 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.86 -38.13 79.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.925 0.393 . . . . 0.0 110.489 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.15 -45.92 83.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.7 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -62.4 -25.58 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.696 179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 68.9 m -63.03 -38.98 93.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.022 0.439 . . . . 0.0 109.898 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -83.09 -40.07 20.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.253 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -67.14 -48.69 67.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.568 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.2 t -54.21 -46.32 72.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.556 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -58.38 -31.8 67.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.385 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.2 ttt -72.86 -31.78 64.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.522 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -55.83 -43.28 76.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.613 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -85.86 -33.86 21.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.884 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.62 -57.83 4.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.6 tp -57.5 -45.25 85.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.007 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -58.23 -48.86 79.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.025 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -65.87 -42.22 90.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.1 -38.05 81.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 21.7 ttm -57.4 -51.08 70.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 159.91 39.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.441 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 42.1 mt -128.25 158.83 40.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 111.051 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -115.71 132.6 56.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.773 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.28 143.52 40.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.101 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -137.05 79.94 1.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.088 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.1 t70 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.789 0.328 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.435 ' ND2' ' HG2' ' A' ' 102' ' ' PRO . 6.4 m120 -92.45 -178.42 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 m -80.83 170.43 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.941 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.5 t -73.69 162.76 28.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.019 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.8 p -60.33 -37.53 80.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.621 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.9 m -65.83 -30.64 71.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.544 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.19 -34.6 56.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.74 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -52.84 -49.14 66.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.132 0.491 . . . . 0.0 109.944 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 pp -79.17 -26.84 42.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.282 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 t -59.61 -32.71 70.66 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.997 0.427 . . . . 0.0 110.432 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.9 t -78.03 -51.47 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.739 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.422 ' NH1' ' CD2' ' A' ' 41' ' ' HIS . 0.0 OUTLIER -59.05 -22.8 61.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.816 0.341 . . . . 0.0 110.264 179.39 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.422 ' CD2' ' NH1' ' A' ' 40' ' ' ARG . 1.9 m-70 -77.55 -33.31 54.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.718 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.442 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 1.2 pt20 -81.83 -29.56 32.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.442 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -77.8 -59.68 2.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 -179.81 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.66 -36.55 62.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.367 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.88 -48.49 81.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.9 m -77.9 -26.74 49.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.073 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.47 ' O ' ' O ' ' A' ' 48' ' ' GLY . . . -69.11 -163.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.137 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.528 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 34.16 107.49 0.0 OUTLIER Glycine 0 CA--C 1.522 0.513 0 CA-C-N 115.827 -0.624 . . . . 0.0 114.465 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.53 HD23 ' CZ3' ' A' ' 116' ' ' TRP . 2.7 mm? -53.19 150.07 11.9 Favored Pre-proline 0 N--CA 1.462 0.15 0 CA-C-O 120.652 0.263 . . . . 0.0 110.972 179.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.39 -81.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.469 2.113 . . . . 0.0 112.184 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.28 -69.91 0.22 Allowed 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.792 0.33 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.34 -30.06 68.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.233 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.22 -27.34 45.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.265 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -89.57 -28.5 19.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.173 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -64.61 -20.77 66.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.523 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.42 ' CD2' ' HG3' ' A' ' 127' ' ' MET . 0.0 OUTLIER -99.6 -49.91 4.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.727 0.299 . . . . 0.0 111.12 -179.634 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.4 p -66.42 -9.88 9.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.6 t -121.01 -39.88 2.67 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.01 -9.91 46.87 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.16 0.429 . . . . 0.0 112.16 -179.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -129.27 -59.15 1.11 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.716 0.293 . . . . 0.0 111.5 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.52 150.04 1.28 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.649 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.77 160.26 46.63 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -48.75 -36.11 15.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.135 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.1 m -59.32 -38.23 79.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.717 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.74 -34.94 67.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.683 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -73.41 -32.93 64.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.814 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -60.38 -46.64 89.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.707 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -73.72 -29.09 62.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.448 ' CE2' ' CD2' ' A' ' 49' ' ' LEU . 10.0 t80 -51.2 -58.09 7.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -75.54 -28.46 59.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.223 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.87 -65.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.088 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.423 ' CD1' ' NE1' ' A' ' 116' ' ' TRP . 4.5 pp -54.12 -37.75 64.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.069 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.416 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 9.7 t80 -70.38 -31.36 68.57 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.644 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.42 -46.86 63.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.913 0.387 . . . . 0.0 110.282 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.26 -23.99 61.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.365 179.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.487 ' HA ' HG23 ' A' ' 79' ' ' THR . 91.6 m -77.75 -53.99 6.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -59.59 -24.35 63.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.574 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.42 -38.36 12.04 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.487 HG23 ' HA ' ' A' ' 76' ' ' THR . 12.4 t -63.24 -41.06 99.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.736 0.303 . . . . 0.0 111.04 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.4 mt -56.89 -39.92 75.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.921 0.391 . . . . 0.0 110.797 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -45.66 91.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.75 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 50.4 mtm -58.45 -31.62 67.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.688 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.28 -56.43 7.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.793 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.435 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 19.0 t70 -84.64 55.14 3.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.742 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.24 -47.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -25.99 25.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.571 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.45 ' O ' HG22 ' A' ' 91' ' ' THR . 11.8 m80 -68.29 70.77 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.93 0.395 . . . . 0.0 110.93 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -46.81 -27.33 1.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.609 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -87.48 -52.58 5.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.485 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.3 mtm -68.68 -47.08 67.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.586 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.45 HG22 ' O ' ' A' ' 87' ' ' HIS . 8.8 t -116.7 -173.3 2.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.866 0.365 . . . . 0.0 110.962 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.75 102.18 2.83 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.588 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -91.07 34.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.717 0.294 . . . . 0.0 111.422 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 96' ' ' ILE . 18.5 p -99.78 -114.38 0.17 Allowed 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.719 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.78 78.41 0.01 OUTLIER Glycine 0 C--N 1.337 0.603 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.442 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 94' ' ' SER . 42.4 pt -115.3 -173.43 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.789 0.328 . . . . 0.0 111.241 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.428 ' HB2' ' CD ' ' A' ' 98' ' ' PRO . 1.4 p-10 -47.31 169.63 0.11 Allowed Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.428 ' CD ' ' HB2' ' A' ' 97' ' ' ASN . 16.4 Cg_exo -68.14 55.92 0.79 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.69 2.26 . . . . 0.0 112.675 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 63.03 125.16 0.01 OUTLIER Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.949 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.416 ' CE ' ' O ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -157.02 151.6 25.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.729 0.299 . . . . 0.0 110.758 179.724 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.424 ' HB2' ' CE1' ' A' ' 103' ' ' HIS . 44.3 mt -80.18 148.54 67.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.727 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.435 ' HG2' ' ND2' ' A' ' 30' ' ' ASN . 19.5 Cg_endo -61.46 -9.94 14.72 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.746 2.298 . . . . 0.0 113.639 -179.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.427 ' HB3' ' ND2' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -91.64 -8.75 46.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.664 0.269 . . . . 0.0 111.437 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.62 -29.81 65.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.904 0.383 . . . . 0.0 110.592 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -79.11 -49.38 12.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.124 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 103' ' ' HIS . 36.0 m -52.81 -45.36 50.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.226 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.08 -49.8 70.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.515 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.73 -24.07 66.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.965 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.425 ' HA ' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -72.21 -53.48 12.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.62 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.92 -25.85 22.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.49 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -71.08 -38.27 72.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.425 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.54 -46.27 90.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.625 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.24 -27.81 42.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.807 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 25.9 m -59.98 -43.02 95.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.982 0.42 . . . . 0.0 110.252 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.6 -37.14 18.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.602 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.53 ' CZ3' HD23 ' A' ' 49' ' ' LEU . 35.5 m95 -68.44 -43.12 77.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.845 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 67.5 m -62.18 -45.45 93.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.125 0.488 . . . . 0.0 109.757 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -62.7 -39.39 93.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.278 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.1 ttt -65.85 -37.1 85.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.547 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.32 -43.92 64.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.729 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -81.42 -33.96 31.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.949 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.49 -60.86 2.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.313 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.1 tp -51.0 -45.56 61.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.05 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -58.58 -48.9 79.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -60.86 -53.29 59.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.212 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.95 -36.79 75.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.397 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.42 ' HG3' ' CD2' ' A' ' 56' ' ' PHE . 9.9 ttm -55.47 -43.51 75.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 154.81 41.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 22.3 mt -138.07 157.42 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 111.045 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -141.67 132.79 26.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -131.61 143.15 50.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.71 81.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.099 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.82 0.343 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -109.69 130.05 55.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.807 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.57 161.22 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.252 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 t -56.94 141.15 46.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.297 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -37.73 53.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.199 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 38' ' ' SER . 5.3 m -61.4 -43.46 98.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.518 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.515 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 0.2 OUTLIER -67.81 -41.37 83.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.628 179.74 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -53.65 -48.9 68.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.067 0.46 . . . . 0.0 109.933 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.448 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 2.0 pp -81.11 -17.03 51.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.185 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.515 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 0.3 OUTLIER -70.96 -24.29 62.39 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.742 179.714 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.1 t -89.66 -43.02 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.536 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.448 ' CG ' ' HA ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -63.07 -27.37 69.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.348 179.639 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.419 ' CD2' HD13 ' A' ' 37' ' ' LEU . 4.7 m-70 -79.08 -38.63 35.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.489 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -79.78 -31.5 40.84 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.233 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.419 ' CG ' ' HG3' ' A' ' 109' ' ' MET . 0.1 OUTLIER -74.36 -60.99 2.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.018 -179.649 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.8 -41.8 45.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.303 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.38 -47.49 85.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.663 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.27 -26.26 60.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.955 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.03 69.39 0.19 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.068 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.401 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 178.46 144.88 5.8 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.473 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.5 mt -82.46 144.71 50.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.602 0.239 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -54.65 -76.45 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.451 2.101 . . . . 0.0 112.656 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.36 -80.99 0.13 Allowed 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -60.84 -30.09 69.89 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.803 0.335 . . . . 0.0 111.304 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -50.09 -34.88 23.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.061 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.439 ' HA ' HG13 ' A' ' 57' ' ' VAL . 28.4 t-80 -76.14 -45.33 34.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.218 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -55.45 -21.25 15.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.474 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.413 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 1.9 t80 -91.65 -54.45 3.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 111.121 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.439 HG13 ' HA ' ' A' ' 54' ' ' HIS . 13.3 p -67.92 -9.9 11.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -179.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 t -122.0 -34.8 3.28 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.13 -9.77 20.23 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -123.02 -68.28 0.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.765 0.317 . . . . 0.0 111.644 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.01 149.89 0.48 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.855 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.65 160.26 41.39 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.746 2.297 . . . . 0.0 112.331 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -46.58 -29.95 2.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.2 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 p -61.7 -47.06 87.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.659 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.09 -31.08 72.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.629 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -73.79 -32.96 64.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.697 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -56.91 -48.17 78.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.796 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -69.93 -34.87 74.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.555 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -60.05 -48.18 82.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.645 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -75.28 -31.74 60.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.785 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -59.44 -58.52 8.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.773 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.401 ' CD1' ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -58.61 -38.33 77.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.764 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.401 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 4.0 t80 -72.04 -29.59 64.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.07 -39.43 72.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.998 0.428 . . . . 0.0 110.239 179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -78.01 -24.71 47.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.617 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.401 ' O ' HG21 ' A' ' 79' ' ' THR . 31.0 m -76.83 -40.12 48.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -70.49 -25.36 63.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.174 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.34 -39.51 10.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.368 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.401 HG21 ' O ' ' A' ' 76' ' ' THR . 14.7 t -61.02 -38.29 85.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.768 0.318 . . . . 0.0 110.931 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 42.0 mt -59.84 -34.93 73.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.79 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.23 -49.77 74.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.781 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 76.1 mtm -55.25 -24.16 26.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.989 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.416 ' O ' ' CE1' ' A' ' 87' ' ' HIS . . . -77.3 -46.91 21.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.991 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.443 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 0.7 OUTLIER -85.08 47.83 1.47 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.185 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -130.38 -47.95 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -51.99 -31.26 28.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.921 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.443 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 4.5 m80 -68.07 71.34 0.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.893 0.378 . . . . 0.0 110.951 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.428 ' HA ' ' CB ' ' A' ' 93' ' ' ALA . 3.0 mtm180 -56.01 -19.21 11.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.638 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -98.66 -29.91 12.77 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.5 mtm -93.45 -35.74 12.82 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.0 t -116.41 -164.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.723 0.297 . . . . 0.0 110.921 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.83 103.86 3.06 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.901 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 88' ' ' ARG . . . -93.43 34.4 1.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.75 0.309 . . . . 0.0 111.269 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.2 p -99.6 -114.66 0.16 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.454 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.02 69.5 0.32 Allowed Glycine 0 C--N 1.334 0.461 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.342 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.6 pt -82.94 -177.4 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 111.323 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -56.65 166.98 1.11 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.926 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -69.31 57.58 1.28 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.758 2.305 . . . . 0.0 112.357 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 71.44 125.11 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.692 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.8 ptm -137.6 164.15 29.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.741 0.305 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.2 mt -85.17 154.09 60.04 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.748 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.34 -47.43 4.39 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.54 2.16 . . . . 0.0 112.59 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.433 ' HA ' HG23 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -84.82 -8.63 58.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.608 -179.655 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.47 -37.56 12.02 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.803 0.335 . . . . 0.0 111.356 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -79.12 -58.91 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.437 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.433 HG23 ' HA ' ' A' ' 103' ' ' HIS . 29.4 m -52.86 -45.81 51.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.708 0.29 . . . . 0.0 111.557 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.95 -57.1 14.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.382 . . . . 0.0 110.757 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -63.29 -21.35 66.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.441 ' HE3' ' N ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -64.56 -62.66 1.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.845 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -25.89 13.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.719 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -66.94 -37.44 84.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.554 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.39 -43.32 99.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.853 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.63 -30.23 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.748 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 90.3 m -60.14 -35.24 74.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.31 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -86.87 -41.87 13.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.547 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.401 ' CH2' ' HA2' ' A' ' 48' ' ' GLY . 49.0 m95 -66.35 -50.77 62.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.517 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.8 t -56.65 -49.56 74.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.36 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.68 -33.18 71.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.339 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.6 ttt -69.24 -35.45 76.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.601 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -54.4 -44.65 72.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.585 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -81.92 -38.18 25.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.912 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.01 -60.22 2.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.273 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.413 ' HG ' ' CD2' ' A' ' 56' ' ' PHE . 4.6 tp -52.9 -39.66 62.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.85 -44.5 90.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -67.32 -44.61 78.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.33 -31.42 72.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.97 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 9.9 ttm -62.51 -45.94 90.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 151.14 44.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 26.3 mt -139.3 158.92 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.327 . . . . 0.0 111.132 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -135.08 119.61 18.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -106.84 143.8 34.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.033 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -139.36 81.5 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.142 179.926 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.826 0.346 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -108.23 171.43 7.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 m -61.55 175.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.045 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.0 t -79.58 164.16 24.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.058 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.2 m -60.1 -37.16 79.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.732 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -33.93 76.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.734 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.568 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 0.5 OUTLIER -70.33 -38.24 74.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.933 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.72 -50.6 63.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.106 0.479 . . . . 0.0 110.15 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 pp -81.33 -23.07 38.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.295 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.568 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 0.3 OUTLIER -61.49 -45.26 94.98 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.825 0.345 . . . . 0.0 110.656 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.2 t -72.78 -37.62 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.728 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.483 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -66.38 -25.34 66.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.241 179.539 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -73.95 -35.08 64.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.367 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 5.1 pt20 -80.78 -32.14 35.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.712 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -77.44 -65.79 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.809 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.75 -45.52 19.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.592 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -55.77 -46.66 77.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.863 0.363 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -73.83 -24.71 59.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.443 ' HA ' ' CE2' ' A' ' 116' ' ' TRP . . . -73.61 63.47 0.83 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.462 ' N ' ' CZ3' ' A' ' 116' ' ' TRP . . . -178.93 113.04 0.39 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.561 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.54 148.74 73.25 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.605 0.241 . . . . 0.0 110.496 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -62.06 -85.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.453 2.102 . . . . 0.0 112.459 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -148.25 -77.17 0.16 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.785 0.326 . . . . 0.0 111.14 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -53.15 -34.92 58.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.259 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -58.13 -35.21 71.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.969 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -79.36 -35.86 40.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.91 -20.33 50.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.71 -59.0 1.86 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.839 0.352 . . . . 0.0 111.0 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.0 p -56.93 -16.13 3.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 t -115.73 -39.89 3.44 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.99 -9.89 29.94 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -123.63 -65.71 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.702 0.287 . . . . 0.0 111.485 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.76 150.09 0.74 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.811 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.68 160.19 48.83 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.792 2.328 . . . . 0.0 112.385 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -49.48 -34.2 16.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.173 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -47.05 84.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.963 0.411 . . . . 0.0 110.68 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.92 -34.91 78.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.462 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -72.39 -32.89 66.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.692 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -55.34 -44.44 75.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -74.05 -28.22 61.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -56.56 -50.15 72.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.78 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -76.73 -34.36 58.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -56.56 -62.66 1.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.402 ' CD1' ' NE1' ' A' ' 116' ' ' TRP . 4.4 pp -54.23 -37.17 64.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.81 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -72.83 -31.32 64.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.81 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.7 m -51.84 -41.11 61.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.04 0.447 . . . . 0.0 110.285 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -77.9 -26.74 49.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.521 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 76.9 m -73.8 -37.95 64.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.022 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -74.15 -25.1 59.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.369 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.12 -31.09 13.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.462 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.3 t -66.82 -47.64 71.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.737 0.303 . . . . 0.0 111.032 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.483 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 32.8 mt -61.79 -38.93 89.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.14 -50.23 71.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.1 mtp -57.98 -26.8 62.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.048 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.05 -26.27 39.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.329 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.503 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 9.4 t70 -95.42 39.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.11 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.5 mtt -130.72 -48.08 1.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.708 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -36.65 -56.47 0.82 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.213 -179.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.503 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 1.2 p80 -66.41 71.32 0.07 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.434 ' HA ' HG23 ' A' ' 91' ' ' THR . 24.1 mmt-85 -50.79 -22.88 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.707 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -70.25 -40.02 74.67 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 5.1 ptp -106.05 7.96 32.1 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.434 HG23 ' HA ' ' A' ' 88' ' ' ARG . 11.5 t -132.86 -160.63 1.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.69 0.281 . . . . 0.0 110.795 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.75 109.56 3.86 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.544 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -93.26 34.17 1.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.739 0.304 . . . . 0.0 111.373 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.84 -164.52 1.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.799 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -52.0 95.25 0.01 OUTLIER Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.767 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.5 pt -116.86 -176.2 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 111.024 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -47.05 166.5 0.18 Allowed Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.173 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -69.65 55.62 1.25 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.815 2.343 . . . . 0.0 112.666 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 49.15 99.72 0.01 OUTLIER Glycine 0 C--N 1.332 0.338 0 C-N-CA 121.069 -0.586 . . . . 0.0 113.126 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.33 168.7 9.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.712 0.291 . . . . 0.0 110.704 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.1 mt -75.38 131.65 77.38 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.938 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -61.59 -17.28 53.34 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.58 2.187 . . . . 0.0 112.795 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.408 ' O ' HG21 ' A' ' 106' ' ' VAL . 20.8 p-80 -96.16 -8.8 32.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.625 0.25 . . . . 0.0 111.529 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.26 -29.46 69.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -79.17 -48.75 13.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.225 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 103' ' ' HIS . 30.4 m -56.85 -41.25 75.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.261 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.402 ' N ' HG23 ' A' ' 106' ' ' VAL . 5.0 t0 -66.09 -45.36 81.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.645 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.78 -25.11 64.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.794 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -52.55 54.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.595 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.0 mtm-85 -57.62 -30.91 65.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.677 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 t -60.55 -38.68 85.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.691 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.93 95.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -60.74 -34.86 60.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 11.9 p -57.12 -52.14 66.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.093 0.473 . . . . 0.0 110.209 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -73.86 -46.2 46.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.737 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.462 ' CZ3' ' N ' ' A' ' 48' ' ' GLY . 34.1 m95 -59.63 -54.7 43.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.2 t -53.96 -45.09 71.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.967 0.413 . . . . 0.0 110.592 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -61.24 -37.85 84.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.604 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.3 ttt -65.07 -38.96 92.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.672 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -52.15 -44.07 64.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.833 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -83.07 -34.01 26.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.86 -60.18 2.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.251 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.01 -42.89 69.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.973 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -63.91 -36.85 85.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.803 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -73.64 -41.37 62.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.809 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.84 -35.51 77.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.0 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 16.5 ttm -59.96 -50.46 73.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 159.99 41.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.462 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 19.4 mt -131.64 158.2 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.791 0.329 . . . . 0.0 111.165 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -143.75 132.37 22.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -124.03 153.01 41.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.071 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.68 85.79 2.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.128 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.871 0.367 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -144.45 137.08 26.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -47.71 162.23 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.934 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.3 t -62.36 130.55 45.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 110.664 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.0 p -47.54 -28.89 2.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.446 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 38' ' ' SER . 50.2 m -69.21 -38.49 78.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.403 ' NE2' ' CG2' ' A' ' 39' ' ' VAL . 37.5 tp60 -70.7 -43.93 68.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.069 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.422 HD12 ' CB ' ' A' ' 86' ' ' GLN . 75.8 mt -52.92 -46.36 68.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.045 0.45 . . . . 0.0 110.371 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.468 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 2.2 pp -81.3 -15.63 54.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.315 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' A' ' 34' ' ' SER . 25.1 p -73.68 -25.85 60.45 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.735 0.302 . . . . 0.0 110.93 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.403 ' CG2' ' NE2' ' A' ' 35' ' ' GLN . 42.0 t -89.17 -37.43 9.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.789 0.328 . . . . 0.0 110.717 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.468 ' CG ' ' HA ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -69.07 -31.27 69.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.01 179.316 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.437 ' CD2' HD12 ' A' ' 37' ' ' LEU . 2.5 m-70 -71.41 -39.76 70.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.126 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.9 -27.51 39.95 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.927 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -83.08 -57.58 3.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.011 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.09 -48.26 64.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.341 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -58.21 -49.85 75.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.1 -28.58 68.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.033 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.13 72.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.417 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 162.93 125.15 0.75 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.585 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.4 mt -70.83 150.51 95.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.532 0.206 . . . . 0.0 110.713 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -62.31 -78.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.443 2.095 . . . . 0.0 112.513 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -148.64 -68.81 0.22 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.832 0.349 . . . . 0.0 111.499 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.14 -42.93 73.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.332 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.32 -46.61 79.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.975 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.437 ' CE1' ' CB ' ' A' ' 58' ' ' SER . 25.1 t-80 -67.01 -45.38 77.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.23 -23.91 9.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.285 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 126' ' ' ALA . 2.4 t80 -90.57 -54.48 3.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.955 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.7 p -68.52 -9.7 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.437 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 16.2 t -120.89 -31.45 4.2 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.23 -9.78 16.01 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -122.34 -66.67 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.738 0.304 . . . . 0.0 111.712 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.61 150.01 0.36 Allowed Pre-proline 0 CA--C 1.53 0.185 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.933 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.01 160.25 50.69 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.779 2.319 . . . . 0.0 112.5 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -47.78 -39.93 19.47 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.179 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.4 t -57.14 -44.2 83.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.682 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.09 -33.09 75.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.466 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -74.65 -32.93 62.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.694 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -56.26 -45.36 80.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -72.35 -28.05 62.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -60.19 -55.65 31.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -74.12 -31.1 62.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.007 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -60.0 -56.49 21.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.4 pp -59.89 -32.62 70.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -77.14 -33.8 56.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.5 -35.26 62.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.027 0.441 . . . . 0.0 110.444 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -83.64 -25.7 30.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.674 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 86.7 m -73.81 -40.99 62.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.07 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -38.14 76.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.288 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.16 -25.47 55.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.26 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.42 HG22 ' HB3' ' A' ' 108' ' ' ASP . 11.4 p -79.76 -48.02 14.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.238 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.434 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 15.6 mt -53.18 -30.78 39.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 110.83 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -61.87 -33.73 74.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.452 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 59.9 mtm -67.28 -31.62 72.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.593 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.29 -30.08 65.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.822 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -92.23 44.73 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.483 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 86' ' ' GLN . 2.0 tmt? -130.46 -67.33 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.452 -179.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.422 ' CB ' HD12 ' A' ' 36' ' ' LEU . 53.2 tp60 -27.72 -45.39 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.51 51.73 1.63 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.007 0.432 . . . . 0.0 110.867 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.498 ' HB3' ' N ' ' A' ' 94' ' ' SER . 2.0 mmt180 -49.72 -26.14 3.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.547 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -77.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.957 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 14.5 ptp -55.94 -30.86 62.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.5 -179.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.6 t -169.94 118.01 0.58 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.09 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 152.56 -84.54 0.15 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.273 -0.965 . . . . 0.0 113.206 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -155.05 -94.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.656 0.265 . . . . 0.0 111.526 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.498 ' N ' ' HB3' ' A' ' 88' ' ' ARG . 0.8 OUTLIER -152.14 -178.2 6.64 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.594 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -74.66 109.73 2.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.72 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.6 pt -135.07 170.65 19.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.982 0.42 . . . . 0.0 111.296 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -53.95 165.59 0.75 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.705 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.476 ' O ' ' C ' ' A' ' 99' ' ' GLY . 93.0 Cg_endo -87.57 31.0 0.44 Allowed 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.768 2.312 . . . . 0.0 112.516 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 98' ' ' PRO . . . -20.73 -65.18 0.01 OUTLIER Glycine 0 C--N 1.337 0.636 0 CA-C-N 116.157 -0.474 . . . . 0.0 114.127 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.445 ' HG2' ' N ' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -86.75 145.94 26.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.811 0.338 . . . . 0.0 111.039 -179.689 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.445 ' N ' ' HG2' ' A' ' 100' ' ' MET . 20.2 mt -62.08 156.45 58.51 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.718 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -73.82 -38.17 2.49 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.568 2.179 . . . . 0.0 113.119 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.7 -8.8 57.97 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.404 ' CG ' ' HB2' ' A' ' 101' ' ' LEU . 1.3 mm-40 -48.76 -66.42 0.4 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.965 0.412 . . . . 0.0 111.199 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -51.43 -47.53 62.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.433 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.9 t -55.58 -69.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.618 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -51.43 -35.61 40.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.268 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.42 ' HB3' HG22 ' A' ' 79' ' ' THR . 10.8 m-20 -73.41 -36.76 66.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.033 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.403 ' CE ' ' HB ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -65.64 -57.49 8.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.771 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.68 -32.04 12.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.818 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -41.66 97.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.484 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.97 -39.17 71.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.069 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.19 -29.38 47.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.847 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 89.0 m -59.73 -36.84 77.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.069 0.462 . . . . 0.0 110.096 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -83.71 -42.69 16.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.481 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.417 ' CH2' ' HA2' ' A' ' 48' ' ' GLY . 50.9 m95 -65.54 -51.33 60.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.799 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.5 m -54.0 -46.59 71.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.605 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -60.92 -22.5 64.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.7 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 1.8 ttt -75.47 -54.0 7.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.053 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -48.69 -29.65 4.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.141 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.36 -44.63 14.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.902 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.52 -52.76 16.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.038 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.95 -41.76 71.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.816 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -57.78 -47.45 82.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.765 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -70.95 -37.42 72.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.777 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 56' ' ' PHE . . . -68.18 -37.36 80.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 6.1 ttm -58.92 -40.88 85.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 144.62 46.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.442 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 32.3 mt -125.4 156.39 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -118.29 60.22 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.58 150.39 27.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.072 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -138.32 86.4 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.078 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.844 0.355 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -151.17 172.91 15.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.6 m -67.0 140.39 19.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.12 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.407 HG23 ' HB2' ' A' ' 35' ' ' GLN . 1.7 t -49.89 161.79 0.23 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.473 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 91.6 p -65.35 -32.18 73.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.658 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.5 -30.95 69.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.363 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.407 ' HB2' HG23 ' A' ' 32' ' ' THR . 0.0 OUTLIER -81.87 -31.92 31.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.554 179.649 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -52.8 -48.47 66.89 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.229 0.538 . . . . 0.0 109.72 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 pp -76.05 -26.64 56.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.014 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.1 t -60.58 -33.52 72.84 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.318 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.429 ' CG1' ' HG2' ' A' ' 109' ' ' MET . 1.6 t -74.66 -47.77 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.387 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -26.18 66.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.328 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -70.55 -37.36 74.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.037 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -71.33 -31.02 66.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.211 -179.7 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.492 ' HG ' ' HG3' ' A' ' 109' ' ' MET . 0.3 OUTLIER -84.45 -56.27 3.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.773 0.32 . . . . 0.0 110.6 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.53 -30.15 1.37 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.576 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -78.69 -63.16 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.068 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.9 t -59.24 -41.17 88.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.036 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.89 80.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.02 149.29 11.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.523 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.409 ' CD1' ' CB ' ' A' ' 53' ' ' GLN . 1.7 mm? -105.03 126.93 29.77 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.547 0.213 . . . . 0.0 110.743 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -64.03 -85.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.378 2.052 . . . . 0.0 112.43 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.22 -77.08 0.16 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.695 0.283 . . . . 0.0 111.283 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -58.44 -35.97 72.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.214 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.409 ' CB ' ' CD1' ' A' ' 49' ' ' LEU . 80.9 mt-30 -56.34 -30.66 62.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.062 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.445 ' CE1' ' CB ' ' A' ' 58' ' ' SER . 28.9 t-80 -89.86 -37.52 14.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -57.2 -21.52 34.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.293 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -96.15 -59.59 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 0.0 111.034 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.8 p -59.86 -13.8 5.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.445 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 31.0 t -118.77 -32.4 4.54 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.4 -9.86 17.3 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -178.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -123.52 -65.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.756 0.313 . . . . 0.0 111.677 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.51 150.33 0.34 Allowed Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.974 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.28 160.41 49.95 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.861 2.374 . . . . 0.0 112.38 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -45.4 -41.16 8.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.277 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -33.03 64.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.045 0.45 . . . . 0.0 110.69 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.96 -31.29 27.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.591 179.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.19 -51.33 11.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.413 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -60.35 -35.26 75.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.651 0.262 . . . . 0.0 110.891 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 ptt85 -74.08 -30.5 62.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.887 0.375 . . . . 0.0 110.638 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -55.51 -44.95 77.07 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.728 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.54 -25.13 56.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.002 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -59.74 -62.45 1.87 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.896 0.379 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.412 ' CD1' ' NE1' ' A' ' 116' ' ' TRP . 4.4 pp -57.17 -36.68 71.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -72.83 -34.13 66.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.6 m -53.54 -34.39 58.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.006 0.431 . . . . 0.0 110.23 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -77.7 -31.82 52.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.388 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.403 ' CG2' HD11 ' A' ' 43' ' ' LEU . 40.5 m -73.22 -37.2 66.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.193 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -74.92 -22.54 58.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.541 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.49 -30.35 12.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.644 0.259 . . . . 0.0 111.424 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.2 t -67.95 -46.25 71.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 111.087 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.412 HD22 ' HB3' ' A' ' 43' ' ' LEU . 9.7 mt -56.44 -42.6 78.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -54.61 -51.84 64.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.03 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 56.5 mtm -59.18 -27.86 66.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.966 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.65 -42.78 70.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.975 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -91.34 48.96 1.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.406 ' HA ' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -130.19 -43.51 1.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.285 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -50.48 -27.85 7.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.94 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.408 ' HB3' ' HB2' ' A' ' 90' ' ' MET . 7.4 m80 -68.07 71.28 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 111.009 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.412 ' HA ' ' CB ' ' A' ' 93' ' ' ALA . 21.7 mtm180 -55.85 -19.2 10.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.697 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -99.96 -29.89 12.31 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.408 ' HB2' ' HB3' ' A' ' 87' ' ' HIS . 2.6 mtm -94.74 -32.15 13.46 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.406 HG23 ' HA ' ' A' ' 85' ' ' MET . 14.5 t -123.39 -163.3 1.11 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.73 0.3 . . . . 0.0 111.074 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.84 106.02 3.36 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.851 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.412 ' CB ' ' HA ' ' A' ' 88' ' ' ARG . . . -93.57 34.34 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.714 0.292 . . . . 0.0 111.436 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 96' ' ' ILE . 53.4 m -99.62 -114.64 0.16 Allowed 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.478 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.14 75.77 0.05 OUTLIER Glycine 0 C--N 1.335 0.503 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.148 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 94' ' ' SER . 50.6 pt -96.09 -174.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.949 0.404 . . . . 0.0 111.429 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.72 167.78 0.46 Allowed Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.874 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -69.15 55.96 1.07 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.774 2.316 . . . . 0.0 112.518 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.72 125.1 0.01 OUTLIER Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.934 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.413 ' HE3' ' HA ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -161.51 152.69 18.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.765 0.317 . . . . 0.0 110.76 179.696 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.422 HD12 ' CE1' ' A' ' 103' ' ' HIS . 1.3 mt -77.72 139.53 62.65 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.07 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.413 ' HA ' ' HE3' ' A' ' 100' ' ' MET . 53.1 Cg_exo -52.76 -24.05 22.31 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.64 2.227 . . . . 0.0 112.739 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.422 ' CE1' HD12 ' A' ' 101' ' ' LEU . 3.7 p-80 -78.55 -22.09 47.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.389 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -53.82 -54.64 35.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.82 0.343 . . . . 0.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -59.96 -30.06 68.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.803 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.0 t -67.28 -57.67 9.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.962 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -58.39 -33.99 70.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.23 -28.41 59.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.492 ' HG3' ' HG ' ' A' ' 43' ' ' LEU . 4.5 tpp -59.12 -58.19 9.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.008 0.432 . . . . 0.0 110.687 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -23.8 67.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.632 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.1 t -60.69 -40.88 93.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.063 0.459 . . . . 0.0 110.468 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.443 ' HB2' ' CD1' ' A' ' 43' ' ' LEU . . . -66.64 -35.92 81.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.564 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -63.5 -33.8 63.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.563 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 13.8 p -58.84 -51.66 69.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.106 0.479 . . . . 0.0 109.78 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -70.62 -48.29 55.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.364 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.412 ' NE1' ' CD1' ' A' ' 72' ' ' LEU . 26.2 m95 -58.64 -57.13 14.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.841 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.9 p -52.96 -45.66 67.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.048 0.451 . . . . 0.0 110.473 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.22 -32.22 72.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.418 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 4.8 ttt -70.85 -38.62 73.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.65 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -52.9 -41.1 64.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.779 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -81.26 -33.95 32.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.998 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.96 -59.33 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.329 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.56 -43.52 62.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -59.49 -49.61 77.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.841 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.33 -34.99 79.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.37 -42.73 58.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 14.0 ttm -52.88 -31.71 41.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.065 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 135.37 43.52 0.11 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.6 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 23.1 mt -125.36 156.47 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 111.155 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -131.21 137.52 48.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -79.32 148.71 31.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -133.95 80.14 1.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.173 179.947 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 t70 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.825 0.345 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -103.97 -178.84 3.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 m -76.69 166.42 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.074 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.2 p -63.31 161.08 14.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 -179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.5 m -63.46 -39.23 93.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.497 179.536 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.48 -30.63 71.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.238 179.447 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -39.27 77.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.457 179.571 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -52.97 -49.99 65.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.053 179.314 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.514 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 3.0 pp -81.15 -16.3 53.36 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.791 179.24 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.8 t -69.41 -27.5 65.33 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.848 0.356 . . . . 0.0 110.687 179.533 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.5 t -89.18 -35.82 8.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -67.36 -25.43 65.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 110.493 179.636 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -81.0 -41.39 22.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.643 179.678 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -73.19 -35.94 66.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.111 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.17 -55.72 5.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.836 -179.779 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.403 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -53.36 -34.52 57.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.037 179.81 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -61.91 -42.67 99.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.721 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.8 m -94.2 13.41 23.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.389 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -108.66 72.75 0.84 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.884 0.373 . . . . 0.0 111.099 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.415 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 162.92 115.37 0.34 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.602 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.413 ' CD1' HG13 ' A' ' 57' ' ' VAL . 91.9 mt -64.35 141.03 98.1 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.487 0.184 . . . . 0.0 110.696 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.5 -76.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.409 2.073 . . . . 0.0 112.677 -179.578 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -148.54 -70.66 0.21 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.861 0.362 . . . . 0.0 111.431 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.96 -38.86 73.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.186 -179.541 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -55.75 -44.27 77.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.007 -179.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -71.41 -47.02 58.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.202 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.27 -23.54 9.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.518 -179.734 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.423 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 3.0 t80 -90.74 -53.29 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 0.0 111.069 -179.771 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.413 HG13 ' CD1' ' A' ' 49' ' ' LEU . 12.5 p -67.03 -9.77 10.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -179.175 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 m -122.49 -35.81 3.03 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.103 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.3 -9.79 21.96 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -178.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -124.02 -67.75 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.723 0.297 . . . . 0.0 111.75 -179.369 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.47 150.02 0.29 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.058 -179.331 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.91 160.34 46.19 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.834 2.356 . . . . 0.0 112.392 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -47.25 -32.59 4.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.0 t -61.06 -46.97 88.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.684 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.75 -31.94 72.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.596 179.772 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -72.01 -32.98 67.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.717 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -58.77 -50.06 75.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -66.62 -31.13 71.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.722 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -60.0 -52.93 63.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.775 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -71.11 -30.01 65.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.31 -61.75 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.4 ' CD1' ' NE1' ' A' ' 116' ' ' TRP . 4.2 pp -55.72 -36.23 66.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -78.46 -27.83 46.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -42.84 65.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.943 0.401 . . . . 0.0 110.564 179.707 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -76.96 -35.76 57.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.5 179.589 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 86.2 m -58.33 -44.16 88.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.058 179.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -63.82 -53.66 47.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.375 -179.713 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.61 -32.44 74.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.502 -179.505 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.414 HG22 ' CB ' ' A' ' 108' ' ' ASP . 11.0 p -64.67 -52.71 55.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 110.979 -179.885 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 40' ' ' ARG . 71.3 mt -54.6 -34.26 61.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.791 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -71.01 -35.71 72.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.641 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 39.3 mtp -73.67 -29.24 62.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.781 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.407 ' CB ' ' CE ' ' A' ' 109' ' ' MET . . . -85.63 -27.8 25.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -94.22 22.48 5.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.6 tpp -130.4 -30.77 1.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.728 -179.618 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -43.83 -29.12 0.5 Allowed 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.403 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.16 67.81 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.946 0.403 . . . . 0.0 110.458 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -54.69 -20.26 7.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.84 -179.673 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -99.66 -29.86 12.43 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.279 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 5.5 mtm -94.31 -31.58 13.99 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.069 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.6 t -113.99 -156.86 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.574 0.226 . . . . 0.0 111.043 -179.63 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.6 104.4 3.14 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.551 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.22 34.47 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.67 0.272 . . . . 0.0 111.501 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 96' ' ' ILE . 19.4 p -99.52 -114.4 0.16 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.847 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.24 77.06 0.02 OUTLIER Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.602 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 94' ' ' SER . 29.7 pt -115.27 -175.64 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.803 0.335 . . . . 0.0 111.129 -179.909 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -57.56 164.1 3.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -69.02 56.96 1.11 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.828 2.352 . . . . 0.0 112.463 -179.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 60.19 112.98 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.632 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.56 160.47 38.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.474 ' CD1' ' CE1' ' A' ' 103' ' ' HIS . 0.9 OUTLIER -79.56 135.5 56.65 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.982 -179.824 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -51.55 -23.1 13.96 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.684 2.256 . . . . 0.0 112.81 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.474 ' CE1' ' CD1' ' A' ' 101' ' ' LEU . 10.4 p80 -87.26 -23.0 24.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.39 -179.587 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -51.34 -41.39 60.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.945 0.403 . . . . 0.0 110.844 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -73.57 -41.31 63.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.791 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 32.2 t -56.75 -67.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.569 -179.811 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -49.67 -45.1 48.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.477 -179.543 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.414 ' CB ' HG22 ' A' ' 79' ' ' THR . 1.1 m-20 -67.2 -29.01 68.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.233 -179.726 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.413 ' HE3' ' HB3' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -64.1 -63.4 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.925 -179.932 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.37 -29.73 4.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.803 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.58 -36.38 83.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.376 179.525 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.796 179.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -30.3 48.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.733 179.865 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 87.0 m -60.05 -35.67 75.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.014 0.435 . . . . 0.0 110.259 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -86.62 -43.01 12.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.471 179.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.415 ' CH2' ' N ' ' A' ' 48' ' ' GLY . 47.9 m95 -64.51 -50.91 65.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.449 179.618 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.0 t -56.76 -50.42 72.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.219 179.38 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -60.19 -33.56 72.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.382 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.407 ' O ' ' N ' ' A' ' 123' ' ' LEU . 2.8 ttt -68.77 -38.53 80.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.558 179.704 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 16.6 ttm-85 -52.05 -42.73 63.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.694 179.739 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -81.72 -38.46 25.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.091 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.88 -59.9 2.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.27 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.423 ' HG ' ' CD2' ' A' ' 56' ' ' PHE . 2.9 tp -51.32 -44.15 61.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.078 -179.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.98 -41.32 78.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -70.49 -51.6 27.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.13 -33.91 71.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.178 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 14.2 ttm -59.44 -42.97 93.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 139.66 42.97 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.532 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 18.6 mt -140.4 159.95 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 15.4 t-160 -127.93 104.56 7.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -137.08 155.01 50.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.161 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -136.91 79.97 1.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.096 -179.959 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.818 0.342 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -126.04 144.26 50.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.51 157.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.068 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 t -54.73 143.19 26.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.58 -37.5 68.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.51 -38.77 88.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -66.45 -42.71 87.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.746 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.93 -49.64 65.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.032 0.444 . . . . 0.0 109.992 179.333 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.46 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 2.0 pp -81.52 -17.69 47.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.109 179.416 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.9 t -66.34 -30.78 71.26 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.78 0.324 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 m -89.64 -36.5 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.286 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.464 ' N ' ' HE2' ' A' ' 109' ' ' MET . 0.0 OUTLIER -66.59 -25.69 66.74 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.422 179.929 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -85.17 -34.18 22.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.443 179.455 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -37.2 29.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.197 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.86 -50.64 19.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.007 -179.622 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.97 -47.2 68.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.138 179.9 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.03 -49.27 77.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -70.02 -29.09 66.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.95 69.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 173.65 132.54 1.55 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.533 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.1 mt -74.25 151.0 87.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 0.0 110.944 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -61.28 -83.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.555 2.17 . . . . 0.0 112.462 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.22 -67.69 0.24 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.781 0.324 . . . . 0.0 111.283 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -67.21 -30.54 70.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.235 -179.588 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -40.31 68.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.178 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.423 ' HA ' HG12 ' A' ' 57' ' ' VAL . 27.8 t-80 -73.92 -37.53 64.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -58.55 -19.9 41.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.727 -179.52 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.421 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 2.6 t80 -97.59 -59.33 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 111.146 -179.533 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 54' ' ' HIS . 12.8 p -57.91 -15.8 5.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.155 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -116.33 -37.2 3.82 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.18 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.8 -9.78 23.92 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.938 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -125.52 -67.17 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.315 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.59 150.16 0.29 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.133 -179.289 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.29 160.29 42.38 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.796 2.331 . . . . 0.0 112.519 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -48.21 -32.85 7.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.189 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.8 p -57.5 -46.81 83.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.004 0.43 . . . . 0.0 110.752 179.824 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.06 -28.66 60.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.772 179.79 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -73.15 -50.65 21.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.655 -179.507 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 68' ' ' ARG . 31.7 p30 -58.25 -34.35 70.36 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.265 -179.432 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.493 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -74.45 -31.27 62.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.961 0.41 . . . . 0.0 110.526 179.462 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -59.41 -45.34 91.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.729 179.743 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -74.85 -29.02 60.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -59.41 -60.07 4.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.406 ' CD1' ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -56.96 -38.49 73.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.406 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 6.1 t80 -72.83 -29.8 63.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.74 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.2 t -54.29 -39.34 66.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.032 0.444 . . . . 0.0 110.383 179.608 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -78.98 -26.6 43.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.644 179.446 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 90.3 m -70.8 -33.26 70.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -76.0 -34.73 59.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.351 -179.674 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -30.52 25.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.451 -179.599 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.8 t -69.6 -42.13 74.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 110.92 -179.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 46.9 mt -57.37 -45.45 84.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.64 -49.46 77.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.744 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.6 mtm -56.8 -24.42 50.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.121 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.421 ' HB2' ' HE3' ' A' ' 109' ' ' MET . . . -76.74 -43.93 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.191 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.446 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 1.2 t0 -86.33 46.34 1.33 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -130.49 -46.57 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.984 0.421 . . . . 0.0 111.005 179.839 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -24.91 7.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.766 -179.631 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.446 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 18.1 m80 -67.96 71.17 0.15 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.899 0.38 . . . . 0.0 111.01 -179.78 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.402 ' HA ' ' CB ' ' A' ' 93' ' ' ALA . 4.4 mtt180 -54.67 -21.65 11.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.516 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -93.46 -29.8 15.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.624 -179.562 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 4.6 mtm -97.13 -51.49 4.19 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.277 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 87' ' ' HIS . 15.3 t -105.29 -167.06 1.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 111.103 -179.616 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.87 99.1 2.38 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.75 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.402 ' CB ' ' HA ' ' A' ' 88' ' ' ARG . . . -91.16 34.45 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.726 0.298 . . . . 0.0 111.357 179.805 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 96' ' ' ILE . 58.5 m -99.55 -114.49 0.16 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.545 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.54 74.98 0.04 OUTLIER Glycine 0 C--N 1.336 0.534 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 94' ' ' SER . 25.3 pt -101.51 -174.92 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.733 0.301 . . . . 0.0 111.086 -179.886 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.22 166.85 0.15 Allowed Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.211 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.82 56.76 1.44 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.789 2.326 . . . . 0.0 112.471 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.79 125.14 0.19 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.658 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.7 ttp -150.29 142.19 23.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.767 0.317 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.3 mt -68.04 152.28 96.56 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.67 179.705 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.2 -8.9 24.74 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.581 2.187 . . . . 0.0 112.896 -179.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -108.22 -9.09 15.58 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -54.47 -55.55 27.81 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.934 0.397 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -58.69 -46.98 86.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.694 179.824 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.7 t -57.68 -56.65 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.279 179.823 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -58.72 -44.42 90.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.42 -26.09 66.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.464 ' HE2' ' N ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -67.92 -60.69 2.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.925 -179.87 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -50.77 -27.33 7.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.741 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.8 t -67.18 -36.59 82.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.433 179.459 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.02 -44.99 95.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.827 179.7 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -29.05 46.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.848 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 85.1 m -60.5 -36.59 78.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.999 0.428 . . . . 0.0 110.361 179.684 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -86.91 -42.25 13.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.54 179.595 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -65.47 -49.58 68.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.473 179.71 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.1 t -58.78 -51.24 70.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.288 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -58.58 -33.03 69.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.331 179.466 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.8 ttt -67.29 -42.02 84.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.627 179.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -50.27 -41.12 49.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.782 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -82.21 -37.17 26.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.022 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.21 -58.93 3.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.234 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.95 -45.47 64.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -60.34 -42.66 96.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -67.82 -46.86 70.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.808 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.12 99.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.421 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 11.0 ttm -57.48 -30.22 64.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 129.87 42.52 0.22 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.694 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 24.2 mt -127.27 158.15 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 111.15 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -139.0 63.23 1.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -128.26 154.43 45.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.066 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -132.76 79.9 1.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.149 179.981 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.821 0.343 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.449 ' ND2' ' HD2' ' A' ' 102' ' ' PRO . 20.4 m120 -90.89 -173.66 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -98.81 160.48 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.036 179.878 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.9 p -58.91 161.11 5.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.162 -179.694 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.98 -39.78 90.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.706 179.805 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 m -67.43 -32.08 72.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.353 179.589 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.477 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 15.1 tp60 -68.93 -40.37 79.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.435 179.599 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -52.95 -49.5 65.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.152 179.379 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.449 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 2.9 pp -81.24 -17.38 49.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.118 179.748 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.477 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 18.9 m -69.39 -28.08 65.85 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.871 0.367 . . . . 0.0 110.678 179.725 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.588 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . 19.9 t -87.37 -39.55 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.449 ' CG ' ' HA ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -67.51 -23.49 65.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.513 179.519 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -80.04 -37.66 33.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.914 179.41 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.588 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 5.8 pt20 -80.23 -36.58 34.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.753 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.406 ' HB3' HD23 ' A' ' 80' ' ' LEU . 1.2 tm? -74.1 -58.41 3.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.176 -179.509 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.412 ' N ' HD23 ' A' ' 80' ' ' LEU . . . -50.09 -48.64 53.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.606 -179.776 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -58.08 -50.64 72.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.144 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -28.04 66.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.23 -179.708 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.79 73.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.33 -179.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.418 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 162.9 139.94 2.75 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.696 179.889 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.4 mt -85.1 146.58 45.73 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.605 0.241 . . . . 0.0 110.702 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -61.63 -81.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.406 2.07 . . . . 0.0 112.273 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.25 -67.61 0.24 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.834 0.349 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.91 -37.44 74.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 -179.821 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -44.45 84.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.968 -179.892 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.44 ' CE1' ' CB ' ' A' ' 58' ' ' SER . 23.1 t-80 -67.87 -43.27 79.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -53.31 -23.29 8.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.584 -179.667 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.427 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 2.0 t80 -92.1 -52.77 4.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 111.097 -179.683 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.6 p -68.38 -9.7 11.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -179.089 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.44 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 2.0 m -122.11 -28.77 4.33 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.094 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.19 -9.85 17.47 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -178.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -128.86 -60.81 1.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.765 -179.384 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.16 149.85 0.42 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.988 -179.325 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.17 160.32 50.0 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.753 2.302 . . . . 0.0 112.412 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -47.36 -41.39 19.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.284 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.0 -34.07 63.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.752 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.402 ' HA ' ' HG2' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -80.95 -29.49 35.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.886 179.829 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -77.08 -53.21 8.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.51 -179.696 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -58.47 -34.68 71.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.657 0.265 . . . . 0.0 111.022 -179.648 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.402 ' HG2' ' HA ' ' A' ' 65' ' ' LEU . 1.3 ptm180 -74.07 -30.32 62.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.967 0.413 . . . . 0.0 110.44 179.474 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -56.03 -58.43 7.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.961 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -67.96 -26.44 65.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.48 -62.24 2.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.401 ' CD1' ' N ' ' A' ' 73' ' ' TYR . 4.0 pp -57.38 -31.45 65.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.401 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 4.8 t80 -75.56 -31.37 60.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.805 179.923 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.47 -40.88 72.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.004 0.43 . . . . 0.0 110.38 179.58 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.439 ' CE1' ' NH2' ' A' ' 78' ' ' ARG . 2.0 t60 -79.12 -23.1 44.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.655 179.426 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.403 ' CG2' ' CD1' ' A' ' 43' ' ' LEU . 39.2 m -78.1 -33.82 50.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -77.0 -26.52 53.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.13 -179.767 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.439 ' NH2' ' CE1' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -90.64 -28.79 18.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.39 -179.72 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.6 t -73.1 -46.91 48.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.312 . . . . 0.0 110.967 -179.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.427 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 17.8 mt -55.92 -31.55 63.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.7 -53.55 57.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.998 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 69.9 mtm -54.67 -41.99 70.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.32 -63.15 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.445 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 7.2 t70 -87.37 62.08 6.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.8 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.6 tpt -126.1 -55.58 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 87' ' ' HIS . 36.2 tt0 -67.45 -86.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.033 -179.855 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 91' ' ' THR . 40.4 m80 26.21 46.96 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.926 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.21 -23.11 13.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.218 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -71.72 -29.69 64.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.443 -179.838 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.3 ptp -126.64 -56.25 1.39 Allowed 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.339 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 87' ' ' HIS . 11.0 t -133.48 132.76 41.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.919 0.39 . . . . 0.0 111.669 -179.16 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.624 ' O ' ' N ' ' A' ' 94' ' ' SER . . . 134.56 -85.14 0.27 Allowed Glycine 0 CA--C 1.506 -0.476 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.69 179.446 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 92' ' ' GLY . . . 21.97 35.86 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.95 1.092 . . . . 0.0 113.95 179.476 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.624 ' N ' ' O ' ' A' ' 92' ' ' GLY . 5.1 m -144.06 -167.15 2.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.811 0.338 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.68 97.57 0.25 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.587 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.9 pt -105.4 -177.02 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -49.25 166.13 0.25 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -70.08 55.94 1.47 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.844 2.363 . . . . 0.0 112.567 -179.767 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 53.59 103.61 0.01 OUTLIER Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.934 179.642 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.26 171.78 11.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.653 0.263 . . . . 0.0 110.705 179.766 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.7 mt -83.92 133.28 46.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.449 ' HD2' ' ND2' ' A' ' 30' ' ' ASN . 41.4 Cg_exo -56.9 -23.53 51.63 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.66 2.24 . . . . 0.0 112.804 -179.743 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -80.5 -8.97 59.77 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.485 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -71.61 -33.69 69.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.914 0.388 . . . . 0.0 110.78 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -79.21 -46.15 18.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.229 -179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 16.5 m -58.1 -46.32 88.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.429 -179.515 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -42.33 98.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.767 -179.883 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -74.39 -29.29 61.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -56.51 7.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.64 179.834 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -52.97 -31.04 38.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.674 179.737 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.7 m -64.85 -35.53 81.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.47 179.464 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.59 92.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.711 179.615 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -62.27 -28.4 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 179.842 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 88.9 m -60.95 -36.53 79.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.948 0.404 . . . . 0.0 110.165 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -85.23 -43.39 13.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.422 179.497 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.418 ' CH2' ' HA2' ' A' ' 48' ' ' GLY . 71.1 m95 -64.96 -50.7 65.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.507 179.564 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.9 t -57.24 -50.89 71.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.296 179.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.34 -30.89 65.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.201 179.195 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.1 ttt -70.5 -38.88 74.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.473 179.518 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.2 -41.17 60.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.688 179.683 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -82.99 -41.14 19.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.926 179.788 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.82 -59.2 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.427 ' HG ' ' CD2' ' A' ' 56' ' ' PHE . 3.0 tp -52.35 -45.46 65.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -60.9 -47.98 83.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -62.96 -42.22 99.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.76 -37.54 79.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.157 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.423 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 8.0 ttm -59.56 -35.07 73.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 138.71 42.79 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.688 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 17.2 mt -131.8 158.54 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.77 0.319 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -129.66 120.9 25.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -121.59 150.95 40.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.062 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -149.93 92.47 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.105 179.989 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.825 0.345 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -135.75 -177.26 4.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.5 m -76.79 159.83 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.031 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.7 t -64.36 167.72 6.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 -179.801 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.18 -36.73 85.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.569 179.713 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.3 m -64.68 -31.59 72.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.417 179.671 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -75.06 -38.04 61.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.521 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.95 -48.17 67.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.057 0.456 . . . . 0.0 110.051 179.35 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.439 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 2.7 pp -81.02 -18.86 45.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.706 179.27 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.2 t -66.82 -27.28 67.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.871 0.367 . . . . 0.0 110.577 179.571 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.3 t -88.74 -40.39 13.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -65.36 -27.81 68.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.364 179.631 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -76.62 -41.19 46.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.412 179.538 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -77.4 -29.89 53.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.426 ' CD1' ' CG2' ' A' ' 76' ' ' THR . 1.4 tm? -80.68 -57.46 3.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.043 -179.831 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.426 ' N ' HD23 ' A' ' 80' ' ' LEU . . . -51.1 -50.36 58.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.465 -179.893 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -56.42 -47.86 78.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.01 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 t -67.64 -26.52 66.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.44 79.6 9.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.454 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 170.84 133.33 1.6 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.591 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.406 ' N ' ' CD2' ' A' ' 49' ' ' LEU . 3.0 mm? -85.73 129.7 53.68 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.472 0.177 . . . . 0.0 110.684 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.81 -75.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.308 2.005 . . . . 0.0 112.476 -179.762 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.57 -80.73 0.13 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.802 0.334 . . . . 0.0 111.476 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -54.95 -40.98 70.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.513 -179.447 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -52.82 -30.29 32.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.137 -179.809 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.405 ' HA ' ' CG1' ' A' ' 57' ' ' VAL . 29.1 t-80 -90.01 -34.47 15.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.002 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.89 -18.05 58.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.488 -179.74 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -100.05 -47.45 4.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 111.103 -179.74 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.405 ' CG1' ' HA ' ' A' ' 54' ' ' HIS . 14.6 p -66.56 -10.12 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.256 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.1 t -122.73 -43.06 2.28 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -179.576 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.86 -10.01 56.05 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.148 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -127.84 -58.74 1.22 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.783 0.325 . . . . 0.0 111.474 -179.735 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.48 149.87 1.3 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.692 -179.597 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -74.02 160.24 43.25 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.752 2.301 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.39 -29.44 2.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.215 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.4 m -62.76 -42.77 99.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.693 179.792 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.21 -32.21 68.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.664 179.782 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -76.03 -32.92 59.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 179.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -59.13 -47.04 86.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.761 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -71.01 -27.83 63.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -57.67 -63.34 1.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -67.84 -29.4 68.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 -179.803 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -62.05 -63.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.07 -179.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.401 ' CD1' ' N ' ' A' ' 73' ' ' TYR . 4.3 pp -58.92 -40.63 85.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.055 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.401 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 5.3 t80 -71.3 -30.31 66.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.074 -179.888 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.57 -42.5 71.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.942 0.401 . . . . 0.0 110.62 179.793 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -78.0 -23.2 48.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.822 179.603 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.426 ' CG2' ' CD1' ' A' ' 43' ' ' LEU . 89.6 m -78.3 -31.78 49.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -77.08 -27.96 54.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 -179.721 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.43 -33.22 16.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.287 -179.723 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.2 t -67.1 -45.15 78.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.086 -179.75 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.428 HD21 ' HA ' ' A' ' 40' ' ' ARG . 21.2 mt -56.87 -37.91 71.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 -179.856 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -57.96 -41.2 82.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.053 -179.888 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 77.4 mtm -61.06 -26.61 67.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.033 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.427 ' O ' ' CE1' ' A' ' 87' ' ' HIS . . . -74.07 -26.17 60.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.411 -179.829 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.06 39.2 1.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.103 -179.843 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.2 mtm -130.57 -47.34 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.428 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.18 -68.67 0.18 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.114 -179.27 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.427 ' CE1' ' O ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -66.16 71.39 0.07 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.281 -179.489 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -33.19 74.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.634 179.728 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -59.26 -39.83 84.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.818 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.0 mtm -88.81 -41.93 12.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.018 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.0 t -166.73 131.69 2.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.185 -179.832 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.612 ' O ' ' N ' ' A' ' 94' ' ' SER . . . 134.88 -84.8 0.27 Allowed Glycine 0 CA--C 1.508 -0.361 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.662 179.742 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 92' ' ' GLY . . . 22.19 35.79 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 179.455 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.612 ' N ' ' O ' ' A' ' 92' ' ' GLY . 17.8 p -121.4 176.08 5.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.78 0.324 . . . . 0.0 110.906 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.93 88.51 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.378 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 48.0 pt -97.09 -177.8 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.925 0.393 . . . . 0.0 111.258 -179.819 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.94 166.76 1.0 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.908 179.836 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.27 55.98 4.26 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.966 2.444 . . . . 0.0 112.332 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 88.57 125.11 2.38 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.789 179.804 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.8 ttp -147.78 141.66 25.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.715 0.293 . . . . 0.0 110.649 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.84 133.91 65.39 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.463 179.648 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.71 -18.97 13.27 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.632 2.222 . . . . 0.0 113.067 -179.481 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.411 ' O ' HG22 ' A' ' 106' ' ' VAL . 8.2 p-80 -87.7 -8.67 55.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.621 0.248 . . . . 0.0 111.517 -179.728 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.65 -35.67 79.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.84 0.352 . . . . 0.0 110.8 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -78.47 -49.28 13.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 103' ' ' HIS . 19.8 m -56.1 -41.58 69.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.908 0.385 . . . . 0.0 111.117 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -61.18 -46.66 89.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -72.23 -28.58 63.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.798 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -65.38 0.68 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.715 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.98 -31.55 5.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 179.857 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.5 m -60.53 -38.62 85.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.381 179.477 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.76 -39.92 82.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.901 179.672 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -61.33 -32.96 54.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 12.3 p -57.98 -52.31 66.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.048 0.451 . . . . 0.0 110.03 179.516 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -72.4 -46.44 55.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.422 179.316 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.454 ' CH2' ' N ' ' A' ' 48' ' ' GLY . 34.0 m95 -58.93 -54.8 43.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.933 179.838 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.1 t -51.01 -42.99 60.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.004 0.43 . . . . 0.0 110.602 179.775 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -63.43 -35.76 81.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.511 179.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.2 ttt -74.75 -33.68 62.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.763 179.833 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -53.02 -42.81 66.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -81.27 -33.94 32.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.8 -59.74 2.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.296 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.97 -46.62 61.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -58.87 -39.82 82.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -70.92 -54.59 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.202 -179.734 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.17 -39.0 77.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.333 -179.724 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 7.7 ttm -56.54 -45.3 81.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 145.49 40.01 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.6 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 6.7 mt -129.15 157.85 41.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -133.61 107.34 7.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -117.94 152.38 35.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.41 86.65 2.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.14 179.94 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.868 0.366 . . . . 0.0 111.236 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -115.7 143.47 45.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 179.908 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.2 m -57.15 161.83 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.946 179.665 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.2 p -56.76 145.78 28.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.5 p -53.53 -35.71 60.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.821 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -72.43 -27.86 62.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.809 179.778 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.424 ' HA ' ' HB3' ' A' ' 38' ' ' SER . 64.7 tp60 -69.7 -48.24 60.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.406 ' CD1' ' CB ' ' A' ' 86' ' ' GLN . 88.5 mt -52.92 -45.67 67.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.256 179.562 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 pp -81.24 -23.84 37.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.634 179.125 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.424 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 13.2 t -61.08 -34.35 74.77 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.909 0.385 . . . . 0.0 110.685 179.762 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.1 m -83.36 -36.57 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.184 -179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.45 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -64.66 -26.8 68.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.904 0.383 . . . . 0.0 110.082 179.511 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -81.99 -37.03 27.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.643 179.549 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -80.36 -36.44 34.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.25 -179.807 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.425 ' HB3' HD22 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -73.88 -63.67 1.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.734 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.407 ' N ' HD22 ' A' ' 80' ' ' LEU . . . -47.54 -45.18 26.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.548 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -57.27 -52.72 64.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.5 m -65.4 -31.54 72.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 48' ' ' GLY . . . -71.16 -165.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.462 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 34.02 100.84 0.01 OUTLIER Glycine 0 C--N 1.333 0.395 0 CA-C-N 115.845 -0.616 . . . . 0.0 114.0 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.426 HD13 ' CE1' ' A' ' 69' ' ' TYR . 34.1 mt -48.96 153.39 1.53 Allowed Pre-proline 0 C--N 1.331 -0.211 0 CA-C-O 120.744 0.307 . . . . 0.0 111.112 179.786 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -61.91 -80.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.526 2.151 . . . . 0.0 112.406 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.17 -69.15 0.23 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.857 0.36 . . . . 0.0 111.177 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -55.63 -39.35 70.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 -179.73 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.37 -42.41 73.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.066 -179.849 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -68.06 -41.11 82.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.955 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.93 -21.03 26.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.468 -179.682 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.41 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 4.0 t80 -95.91 -51.96 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.222 -179.635 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.3 p -67.51 -9.8 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.053 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.09 -31.28 3.37 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -179.097 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.69 -9.79 21.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.796 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -131.67 -62.34 0.87 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.342 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -37.41 151.73 0.13 Allowed Pre-proline 0 N--CA 1.464 0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.234 -179.307 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.18 160.26 49.59 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.938 2.425 . . . . 0.0 112.571 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.2 -46.33 23.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.353 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.97 -31.9 61.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.954 0.407 . . . . 0.0 110.797 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.3 -31.66 26.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.732 179.779 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.18 -52.97 8.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.403 -179.804 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -57.96 -39.97 79.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.296 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -69.74 -29.7 67.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.87 0.367 . . . . 0.0 110.816 179.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.426 ' CE1' HD13 ' A' ' 49' ' ' LEU . 86.6 t80 -58.06 -68.73 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.064 -179.884 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -56.99 -25.03 57.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.216 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.66 -64.08 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.255 -179.784 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.403 HD11 ' NE1' ' A' ' 116' ' ' TRP . 3.4 pp -54.75 -28.43 48.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.325 -179.655 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.419 ' CE2' ' HG3' ' A' ' 77' ' ' GLN . 5.7 t80 -83.15 -34.66 25.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.926 179.814 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.82 -44.38 28.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.013 0.435 . . . . 0.0 110.582 179.732 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.61 -39.04 58.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.194 179.305 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 99.1 m -59.52 -50.05 75.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.948 179.73 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.419 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 2.2 mt-30 -59.49 -32.38 70.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.002 -179.702 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.05 -36.32 23.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.011 -179.808 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.5 p -60.84 -47.51 86.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.154 -179.737 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.45 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 3.9 mt -56.75 -31.61 64.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.372 . . . . 0.0 110.499 179.83 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 85' ' ' MET . 0.3 OUTLIER -57.79 -60.27 3.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.385 179.573 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 59.1 mtm -53.93 -24.18 15.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.811 179.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.92 -45.43 67.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.331 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.418 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 2.8 t0 -94.67 53.92 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.597 -179.52 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.41 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 39.8 mtt -130.18 -47.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.013 0.435 . . . . 0.0 110.767 179.505 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.406 ' CB ' ' CD1' ' A' ' 36' ' ' LEU . 11.6 tp60 -48.51 -29.91 4.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.262 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.418 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 7.2 m80 -69.73 71.19 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.652 179.895 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.2 mtm105 -59.45 -18.4 39.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.473 -179.74 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -98.48 -29.89 12.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.617 0.246 . . . . 0.0 111.612 -179.386 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 4.3 mtm -94.27 -39.49 10.49 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.321 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.6 t -118.49 -164.98 1.07 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.351 . . . . 0.0 111.239 -179.506 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.98 103.75 3.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.665 -179.659 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -93.62 34.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.311 . . . . 0.0 111.216 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 96' ' ' ILE . 50.4 m -99.43 -114.42 0.16 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.85 -179.679 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.37 75.45 0.02 OUTLIER Glycine 0 C--N 1.335 0.508 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.916 -179.681 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 94' ' ' SER . 26.8 pt -107.7 -174.52 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.725 0.298 . . . . 0.0 110.905 179.8 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -52.06 166.76 0.38 Allowed Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.932 179.846 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.22 47.16 1.96 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.991 2.461 . . . . 0.0 112.91 -179.578 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 60.87 125.07 0.01 OUTLIER Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.832 179.719 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.34 177.0 9.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.693 0.282 . . . . 0.0 110.764 179.712 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 3.4 mt -56.12 131.91 74.63 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.588 179.834 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 101' ' ' LEU . 33.2 Cg_exo -57.89 -19.84 41.47 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.381 2.054 . . . . 0.0 112.52 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -100.88 -8.79 22.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.621 -179.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.51 -32.68 3.51 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.875 0.369 . . . . 0.0 111.207 -179.844 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -79.21 -58.99 2.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.38 -179.716 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.8 m -55.25 -48.41 76.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.484 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -61.54 -57.18 13.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.969 0.414 . . . . 0.0 110.78 -179.826 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -60.87 -19.48 60.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.006 179.797 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.422 ' HE2' ' N ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -67.88 -59.52 3.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.867 0.365 . . . . 0.0 110.696 179.842 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.82 -27.12 11.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.714 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.1 t -67.04 -39.64 86.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.396 179.52 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.42 -44.58 96.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.978 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.402 ' O ' ' CB ' ' A' ' 117' ' ' SER . 0.6 OUTLIER -62.75 -27.96 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.898 179.91 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 75.8 m -60.51 -40.39 91.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.008 0.432 . . . . 0.0 110.135 179.553 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.75 -41.31 17.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.737 179.51 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.462 ' CH2' ' N ' ' A' ' 48' ' ' GLY . 51.3 m95 -67.9 -43.44 79.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 113' ' ' ILE . 72.9 m -57.76 -48.94 78.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.043 0.449 . . . . 0.0 110.068 179.316 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -59.02 -32.57 69.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.155 179.191 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 1.7 ttt -71.32 -36.56 71.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.591 179.667 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -48.74 60.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.794 179.764 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -83.51 -42.26 17.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.057 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.65 -59.92 4.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.292 -179.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.41 ' HG ' ' CD2' ' A' ' 56' ' ' PHE . 4.9 tp -55.45 -42.71 74.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.211 -179.835 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -58.74 -50.6 73.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.361 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -61.82 -45.25 94.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.54 -34.94 78.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 25.0 ttm -57.53 -30.52 65.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 128.87 35.63 0.47 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.621 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 23.3 mt -128.08 156.32 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 111.052 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -114.05 118.23 33.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -98.22 144.03 28.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.053 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -146.57 90.77 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.117 179.984 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.836 0.35 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.551 HD21 ' HD2' ' A' ' 102' ' ' PRO . 13.1 m-20 -166.22 -172.9 2.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.6 m -54.0 178.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.29 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.4 t -85.26 173.96 9.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.058 -179.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.5 p -72.38 -35.7 68.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.656 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.9 m -65.93 -31.42 72.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.69 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -79.29 -36.11 40.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.662 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -53.93 -46.47 71.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.986 0.422 . . . . 0.0 110.211 179.532 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.506 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 3.4 pp -78.61 -18.35 54.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.643 179.237 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -70.19 -28.41 65.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.801 0.334 . . . . 0.0 110.719 179.758 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.424 HG11 ' N ' ' A' ' 40' ' ' ARG . 9.9 p -88.15 -29.97 5.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.173 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -75.26 -26.71 59.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 110.253 179.556 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.41 ' CD2' ' O ' ' A' ' 37' ' ' LEU . 48.7 m-70 -78.13 -35.74 48.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.94 179.088 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -77.67 -34.59 52.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.714 179.601 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -78.8 -54.12 6.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.817 -179.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.21 -45.38 72.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.262 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -57.54 -55.45 34.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 m -60.58 -29.24 69.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.783 179.799 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.432 ' HA ' ' CE2' ' A' ' 116' ' ' TRP . . . -77.21 68.18 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.46 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . -176.75 128.19 1.31 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.428 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.4 HD22 ' CE2' ' A' ' 69' ' ' TYR . 2.9 mm? -79.86 137.7 54.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.57 0.224 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.58 -78.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.495 2.13 . . . . 0.0 112.338 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.17 -70.41 0.22 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.856 0.36 . . . . 0.0 111.18 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -61.66 -31.26 71.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.244 -179.726 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -57.6 -36.2 71.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.019 -179.877 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -83.88 -38.71 20.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -19.18 50.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.388 -179.843 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.444 ' CE2' HD13 ' A' ' 123' ' ' LEU . 0.8 OUTLIER -98.0 -49.89 4.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.753 0.311 . . . . 0.0 111.022 -179.756 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.5 p -69.37 -9.85 12.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.133 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 t -123.02 -35.48 3.0 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -179.196 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.44 -9.84 31.53 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.881 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -130.36 -59.91 1.02 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.769 0.319 . . . . 0.0 111.798 -179.494 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.49 149.97 0.55 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.903 -179.402 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.15 160.24 49.69 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.796 2.331 . . . . 0.0 112.351 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 -50.64 -29.38 10.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.08 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -44.3 97.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.6 179.795 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.59 -32.14 70.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.581 179.816 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -74.97 -32.91 61.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.67 179.749 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -58.45 -45.44 88.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.725 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -74.09 -27.36 60.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.831 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.4 ' CE2' HD22 ' A' ' 49' ' ' LEU . 13.4 t80 -55.95 -54.95 38.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.958 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -75.12 -31.94 61.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.9 -59.22 5.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.992 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.409 ' CD1' ' NE1' ' A' ' 116' ' ' TRP . 4.1 pp -57.1 -34.42 68.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -79.19 -27.63 42.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.981 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.01 -47.61 71.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.959 0.409 . . . . 0.0 110.793 179.823 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -74.79 -31.93 61.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.538 179.579 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 53.0 m -63.15 -46.41 87.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 78' ' ' ARG . 1.2 pt20 -63.84 -31.64 72.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.961 -179.876 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.423 ' N ' ' HG3' ' A' ' 77' ' ' GLN . 0.1 OUTLIER -79.86 -51.38 9.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.509 179.837 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.9 p -52.93 -33.18 49.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.423 HD21 ' HA ' ' A' ' 40' ' ' ARG . 43.3 mt -72.08 -30.54 65.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.602 179.654 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.32 -50.6 67.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.624 179.799 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.5 mtp -55.87 -29.41 59.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.658 179.677 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.53 -44.31 96.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.416 179.373 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.488 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -88.96 48.83 1.68 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.544 179.439 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.455 ' O ' ' HA3' ' A' ' 92' ' ' GLY . 0.8 OUTLIER -130.28 -40.22 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.156 -179.68 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.412 ' HG3' ' HG3' ' A' ' 102' ' ' PRO . 0.9 OUTLIER -60.59 -23.86 65.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.504 -179.765 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.488 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 21.7 m80 -66.47 71.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.807 0.337 . . . . 0.0 111.451 -179.543 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -16.48 46.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.452 179.812 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -96.34 -29.89 13.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.617 0.246 . . . . 0.0 111.608 -179.54 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.3 mtm -102.54 -44.92 5.21 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -179.333 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.9 t -167.49 71.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.909 0.385 . . . . 0.0 110.934 -179.662 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' A' ' 85' ' ' MET . . . -167.64 44.94 0.24 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.537 -179.886 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -140.73 34.06 1.8 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.866 0.365 . . . . 0.0 111.316 -179.593 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.7 m -126.8 -168.59 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.733 179.842 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.17 95.28 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.434 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.1 pt -128.37 -176.91 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.799 0.333 . . . . 0.0 111.226 -179.88 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -55.4 166.15 0.98 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -69.2 56.7 1.17 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.885 2.39 . . . . 0.0 112.351 -179.868 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 63.45 124.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.656 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.432 ' HE3' ' O ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -138.28 152.74 48.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.668 0.27 . . . . 0.0 110.718 179.841 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.444 ' HB3' ' ND2' ' A' ' 30' ' ' ASN . 0.3 OUTLIER -81.36 129.32 66.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.733 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.551 ' HD2' HD21 ' A' ' 30' ' ' ASN . 85.8 Cg_exo -51.81 -38.98 68.44 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.199 2.599 . . . . 0.0 113.932 -178.647 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.12 -18.66 37.64 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.237 -179.704 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.3 -46.42 90.36 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.846 0.355 . . . . 0.0 110.606 179.713 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -74.65 -30.89 61.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.807 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 41.9 t -63.19 -66.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.22 -39.77 60.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -67.38 -35.23 78.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -43.8 98.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.316 179.682 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -60.56 -29.06 68.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.295 179.435 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.0 t -59.66 -44.46 93.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.342 179.526 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.99 -37.23 73.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.878 179.62 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -62.99 -32.06 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 8.2 p -59.11 -52.9 63.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.102 0.477 . . . . 0.0 109.86 179.402 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -48.39 56.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.147 179.145 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.46 ' CH2' ' N ' ' A' ' 48' ' ' GLY . 31.9 m95 -56.86 -56.15 25.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.818 179.599 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 70.2 m -51.72 -43.15 62.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.987 0.422 . . . . 0.0 110.555 179.615 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -61.54 -32.54 72.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.34 179.497 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.9 ttm -71.51 -35.45 70.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.626 179.74 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -53.67 -46.07 70.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.689 179.786 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -85.94 -39.06 17.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.71 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.94 -58.49 6.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.171 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.444 HD13 ' CE2' ' A' ' 56' ' ' PHE . 5.9 tp -57.63 -45.4 85.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -58.34 -42.2 86.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.827 179.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -69.36 -53.99 16.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.009 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.75 -34.27 65.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.4 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 26.0 ttm -65.73 -31.37 72.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.763 179.865 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 123.92 41.73 0.4 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.314 -179.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 27.6 mt -130.97 159.47 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.341 . . . . 0.0 111.205 -179.89 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -133.54 118.58 18.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -86.73 154.97 20.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -142.97 84.6 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.145 179.934 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.767 0.317 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -119.82 140.66 50.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -47.42 168.35 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.061 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 p -56.86 142.85 39.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.724 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 p -57.46 -32.12 66.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 p -70.21 -31.47 68.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.649 179.842 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.535 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 11.7 tp60 -70.86 -44.89 65.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.699 179.846 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.94 -49.68 65.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.227 179.472 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.447 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 1.7 pp -81.32 -17.55 48.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.363 179.805 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.535 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 2.5 m -71.46 -23.66 61.86 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.813 0.339 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.406 ' CG1' ' HE3' ' A' ' 109' ' ' MET . 13.2 t -90.59 -44.57 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.518 179.796 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.447 ' CG ' ' HA ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -60.14 -27.67 67.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.995 0.426 . . . . 0.0 110.128 179.072 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.404 ' CD2' HD12 ' A' ' 37' ' ' LEU . 2.7 m-70 -76.72 -42.74 40.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.225 179.389 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -27.72 59.35 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.983 179.798 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.37 -67.67 0.69 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.741 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.99 -44.14 19.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.627 -179.789 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -55.03 -59.01 5.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.841 0.353 . . . . 0.0 110.962 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -66.26 -28.22 68.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.431 ' HA ' ' CE2' ' A' ' 116' ' ' TRP . . . -73.61 66.54 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.446 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 174.21 120.28 0.58 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.544 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 3.1 mm? -73.78 139.18 76.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.522 0.201 . . . . 0.0 110.733 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 22.3 Cg_exo -63.3 -73.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.319 2.012 . . . . 0.0 112.293 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.3 ttt-85 -148.52 -70.82 0.21 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.835 0.35 . . . . 0.0 111.35 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -58.47 -42.39 87.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.294 -179.545 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -52.65 -29.61 27.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.135 -179.744 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.422 ' CE1' ' CB ' ' A' ' 58' ' ' SER . 27.0 t-80 -89.99 -37.28 14.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.963 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.98 -20.66 39.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.391 -179.808 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -97.47 -60.75 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 110.981 -179.803 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.4 p -58.97 -13.95 4.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -179.204 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.422 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 23.1 t -118.89 -31.33 4.81 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.219 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.93 -9.8 16.93 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -125.06 -63.83 1.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.701 0.286 . . . . 0.0 111.681 -179.466 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.59 149.96 0.37 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.99 -179.346 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.94 160.24 48.2 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.823 2.348 . . . . 0.0 112.635 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.91 -33.37 10.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.231 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.5 p -58.74 -47.13 85.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.708 179.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.29 -37.06 69.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.592 179.634 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -60.55 -39.15 86.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.56 179.735 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -61.12 -40.58 94.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.205 179.389 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -32.25 73.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.583 179.506 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.413 ' CE2' HD21 ' A' ' 49' ' ' LEU . 10.7 t80 -55.91 -67.76 0.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.201 -179.863 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -64.91 -28.03 69.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 -179.761 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -60.01 -71.32 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.261 -179.701 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.421 ' CD1' ' NE1' ' A' ' 116' ' ' TRP . 4.6 pp -52.68 -38.43 60.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.5 -179.538 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.407 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 4.7 t80 -72.16 -30.63 65.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.163 -179.741 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.8 t -55.83 -37.51 68.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.614 179.767 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -78.58 -28.21 45.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.865 179.785 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.2 m -73.94 -40.55 63.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.207 -179.851 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -68.6 -31.77 71.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.483 -179.347 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -88.38 -9.44 52.66 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -179.445 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 p -92.87 -43.42 8.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.557 0.218 . . . . 0.0 111.298 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 mt -51.91 -26.12 9.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.742 0.306 . . . . 0.0 111.043 -179.897 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.52 -43.8 96.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.587 179.629 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 65.5 mtm -68.66 -27.6 66.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.745 179.732 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.28 -52.1 66.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.004 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.517 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 1.7 p30 -88.95 51.5 2.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.8 179.877 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.6 tpt -130.48 -37.05 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.928 -179.578 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -73.57 -5.17 38.59 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.082 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.517 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 71.3 m80 -70.3 71.43 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 111.126 -179.882 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.16 -20.81 4.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.726 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -91.86 -29.8 16.51 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -179.385 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 46.9 mtm -110.58 -48.48 3.15 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 87' ' ' HIS . 4.8 t -157.74 65.76 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.881 0.372 . . . . 0.0 111.207 -179.355 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -160.73 44.64 0.41 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.399 179.627 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -146.62 34.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.891 0.377 . . . . 0.0 111.209 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.3 m -140.07 -166.4 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.761 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.18 90.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.511 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 35.4 pt -116.48 -176.6 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 111.161 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -50.77 166.34 0.31 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.022 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.76 56.0 1.34 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.86 2.373 . . . . 0.0 112.624 -179.878 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.92 108.38 0.01 OUTLIER Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.947 179.731 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -127.82 175.27 8.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.754 0.312 . . . . 0.0 110.787 179.706 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mt -71.62 156.54 91.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.766 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.09 -42.03 0.44 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.651 2.234 . . . . 0.0 112.464 -179.847 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -77.37 -8.93 58.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.538 -179.687 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -48.21 -56.54 7.68 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.841 0.353 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -60.14 -51.86 67.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.6 t -54.85 -56.61 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.597 -179.817 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.01 -48.92 64.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.387 -179.657 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.2 -31.62 64.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.973 -179.833 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.406 ' HE3' ' CG1' ' A' ' 39' ' ' VAL . 4.2 mtm -70.17 -57.35 5.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.855 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -25.64 20.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.95 0.405 . . . . 0.0 110.389 179.417 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -66.77 -38.49 86.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.151 179.324 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.21 -37.03 71.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.588 179.483 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.5 tp -66.51 -31.84 55.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.433 179.56 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 63.0 m -56.44 -38.12 71.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.151 179.38 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.69 -46.48 11.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.207 179.274 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.446 ' CH2' ' N ' ' A' ' 48' ' ' GLY . 24.9 m95 -58.13 -52.52 65.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.491 179.533 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.0 t -54.4 -47.06 73.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.453 179.46 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -60.54 -32.95 71.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.406 179.473 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 6.1 ttt -68.77 -38.55 80.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.62 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 33.8 ttt-85 -54.04 -39.34 66.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.695 179.81 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -83.44 -33.92 25.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.794 179.755 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.91 -59.32 2.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.66 -43.49 68.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.996 179.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -58.7 -43.35 90.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -67.88 -50.9 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.807 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.59 89.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 20.0 ttm -56.91 -37.1 70.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 133.63 43.07 0.14 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.638 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 31.0 mt -127.72 156.29 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 111.063 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -131.28 125.82 33.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -93.97 154.12 17.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -139.97 85.65 2.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.253 -0.88 . . . . 0.0 111.132 179.969 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.765 0.317 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -60.08 172.41 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.4 m -74.29 177.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.985 179.756 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.445 HG23 ' HB2' ' A' ' 35' ' ' GLN . 1.3 t -69.98 155.2 40.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 111.072 -179.842 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.0 p -55.19 -40.11 70.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 179.906 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 m -64.57 -30.31 71.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.483 179.517 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.445 ' HB2' HG23 ' A' ' 32' ' ' THR . 0.0 OUTLIER -67.79 -46.09 72.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.65 179.789 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -52.95 -47.91 67.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.055 0.455 . . . . 0.0 110.011 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.463 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 1.3 pp -81.38 -18.62 44.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.293 179.62 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.417 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 27.8 t -71.01 -28.05 64.13 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.714 0.293 . . . . 0.0 111.253 -179.625 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.401 ' CG1' ' HG3' ' A' ' 109' ' ' MET . 6.6 t -88.65 -41.41 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 0.0 110.884 -179.886 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.463 ' CG ' ' HA ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -63.16 -26.1 68.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.961 0.41 . . . . 0.0 110.226 179.409 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.407 ' CD2' HD11 ' A' ' 37' ' ' LEU . 2.5 m-70 -78.13 -39.16 42.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.17 179.233 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -80.91 -30.78 35.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.033 179.851 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.441 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -75.61 -53.67 8.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.041 -179.799 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.21 -35.89 70.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.085 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -59.3 -46.31 88.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.719 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.9 m -78.13 -25.88 47.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.805 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.16 78.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.345 -179.906 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.92 123.29 0.65 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.668 179.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.7 mt -73.0 144.23 84.92 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.615 0.245 . . . . 0.0 110.672 179.871 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.45 -83.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.382 2.055 . . . . 0.0 112.297 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.24 -67.37 0.24 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.81 0.338 . . . . 0.0 111.074 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -63.98 -31.0 72.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 -179.873 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.21 -42.14 76.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.469 ' CE1' ' CB ' ' A' ' 58' ' ' SER . 18.3 t-80 -73.99 -36.32 64.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.045 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.42 -21.68 38.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.442 -179.738 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -96.61 -53.92 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 111.088 -179.699 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.1 p -65.87 -9.69 8.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -179.406 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.469 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 9.0 t -113.88 -38.5 4.21 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -178.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.1 t -106.89 -9.96 16.16 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -178.689 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -117.38 -66.41 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.722 0.296 . . . . 0.0 111.485 -179.634 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.98 150.29 0.61 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.643 -179.656 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.15 160.1 49.03 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.666 2.244 . . . . 0.0 112.341 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.36 -38.02 62.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.061 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.6 p -56.76 -41.06 76.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.746 179.82 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.44 -30.83 70.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.631 179.738 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -75.09 -32.95 61.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.789 179.87 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -58.89 -45.64 89.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -73.61 -26.52 60.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -57.76 -54.19 49.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -71.1 -30.35 66.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -60.24 -57.87 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.06 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.407 ' CD1' ' N ' ' A' ' 73' ' ' TYR . 4.0 pp -58.34 -36.37 73.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.011 -179.881 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.407 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 3.5 t80 -75.8 -30.39 59.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.847 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.8 p -54.76 -37.84 66.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.019 0.438 . . . . 0.0 110.386 179.613 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -81.47 -26.08 35.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.523 179.415 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.402 ' CG2' HD13 ' A' ' 43' ' ' LEU . 17.6 m -72.88 -36.1 67.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -74.89 -32.39 61.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 -179.654 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.37 -38.45 18.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.181 -179.912 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.7 t -62.43 -46.76 87.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' A' ' 40' ' ' ARG . 62.8 mt -55.78 -35.1 65.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -63.45 -54.43 36.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 61.7 mtm -57.61 -22.31 44.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.24 25.11 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.318 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -138.91 26.33 2.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.2 mtm -130.14 -41.1 1.28 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 -179.857 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -42.52 -29.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.044 -179.569 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.64 44.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.342 . . . . 0.0 111.079 -179.796 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -52.5 -31.15 33.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.116 179.865 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -58.31 -71.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.393 -179.608 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.0 ptp -60.8 -49.91 75.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.386 -179.542 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.0 t -113.82 146.08 40.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.135 -179.785 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -100.54 77.12 0.42 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.308 179.818 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.06 -68.6 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 111.298 -179.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 94.8 p -178.42 139.29 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.803 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.96 92.37 1.69 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.638 -179.871 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 22.0 pt -135.1 177.41 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.372 . . . . 0.0 111.187 179.87 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.83 164.53 9.83 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.059 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 99' ' ' GLY . 12.3 Cg_exo -70.0 59.16 1.73 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.763 2.309 . . . . 0.0 111.861 179.596 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 98' ' ' PRO . . . -20.25 -54.9 0.01 OUTLIER Glycine 0 C--N 1.337 0.587 0 CA-C-N 115.866 -0.606 . . . . 0.0 114.194 -179.707 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.91 -179.94 6.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.38 . . . . 0.0 111.197 -179.816 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.426 HD13 ' CE1' ' A' ' 103' ' ' HIS . 0.3 OUTLIER -72.57 135.97 81.06 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.694 179.855 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -51.69 -21.91 12.14 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.576 2.184 . . . . 0.0 112.924 -179.655 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.426 ' CE1' HD13 ' A' ' 101' ' ' LEU . 34.4 p-80 -84.01 -23.35 30.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.615 0.245 . . . . 0.0 111.285 -179.738 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -52.76 -50.88 62.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.803 0.335 . . . . 0.0 110.657 179.728 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.503 ' O ' ' HG2' ' A' ' 109' ' ' MET . 4.7 p30 -59.02 -47.35 85.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.226 179.399 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 80.1 t -45.95 -60.24 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.09 179.582 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -57.42 -33.85 68.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.994 0.426 . . . . 0.0 110.242 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.36 -22.88 62.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.124 179.748 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' A' ' 105' ' ' ASN . 2.3 mmt -66.87 -55.87 12.84 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.972 0.415 . . . . 0.0 110.534 179.881 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.11 -29.34 63.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.645 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -41.54 99.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.387 179.647 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.81 -48.04 70.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.81 179.655 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.26 -30.56 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.785 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 91.4 m -59.33 -38.07 79.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.36 179.606 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -87.48 -41.89 13.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.7 179.694 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -66.19 -50.58 63.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.68 179.748 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.0 t -57.84 -49.64 76.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.316 179.479 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -60.48 -31.77 70.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.292 179.257 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.2 ttt -74.93 -34.03 62.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.667 179.706 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -53.23 -43.27 67.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.736 179.814 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.46 -35.89 20.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.907 179.906 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.8 -58.54 4.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.6 tp -57.03 -42.5 80.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.967 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -59.56 -49.26 78.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.869 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -67.14 -44.67 79.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.44 -37.8 82.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 26.4 ttm -59.07 -47.81 83.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.819 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 149.54 41.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.462 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 16.5 mt -128.62 157.17 41.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.815 0.341 . . . . 0.0 111.067 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -140.71 136.92 33.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -115.84 143.35 45.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.061 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -145.92 90.32 1.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.187 179.941 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 t0 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.869 0.366 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -81.02 -175.38 5.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 m -96.61 152.83 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.908 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.414 HG22 ' HB2' ' A' ' 35' ' ' GLN . 12.5 t -57.44 157.22 6.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.181 -179.697 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -58.01 -30.93 66.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.801 179.844 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 m -67.37 -32.37 73.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.774 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.414 ' HB2' HG22 ' A' ' 32' ' ' THR . 0.1 OUTLIER -78.02 -34.96 50.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.91 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.79 -48.29 66.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.062 0.458 . . . . 0.0 109.896 179.508 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 pp -80.0 -22.35 42.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.224 178.9 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.5 t -59.28 -47.86 83.79 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.698 179.699 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.2 m -72.34 -36.86 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.023 179.822 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.558 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -64.55 -22.69 67.04 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.144 179.454 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -83.6 -35.23 24.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.398 179.368 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -81.85 -35.42 29.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.433 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 0.7 OUTLIER -74.38 -66.63 0.71 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.448 179.806 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.409 ' CA ' HD12 ' A' ' 80' ' ' LEU . . . -46.35 -44.44 16.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.588 179.865 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -52.73 -50.38 63.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.848 0.356 . . . . 0.0 110.784 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.8 t -71.25 -26.9 63.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.682 179.642 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.479 ' HA ' ' CE2' ' A' ' 116' ' ' TRP . . . -72.57 65.63 0.68 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.449 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 175.64 130.67 1.35 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.525 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 2.7 mm? -83.18 136.31 43.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.52 0.2 . . . . 0.0 110.675 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 33.0 Cg_exo -58.25 -74.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.323 2.016 . . . . 0.0 112.441 -179.766 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.49 -74.81 0.18 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.857 0.36 . . . . 0.0 111.267 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.88 -38.92 62.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.353 -179.584 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -57.28 -33.36 67.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.935 -179.924 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -90.13 -39.88 12.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -56.3 -21.65 25.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.494 -179.725 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.54 -58.59 1.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.956 -179.747 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.9 p -56.19 -18.98 6.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.25 -179.32 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.7 p -112.77 -41.41 3.8 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.24 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.72 -9.83 39.28 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -178.886 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -124.58 -62.4 1.26 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.683 0.277 . . . . 0.0 111.611 -179.544 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.95 150.01 0.78 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.782 -179.54 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.66 160.17 48.94 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.762 2.308 . . . . 0.0 112.485 -179.829 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -49.54 -39.34 34.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.192 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 p -56.97 -47.05 81.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.92 0.391 . . . . 0.0 110.716 179.846 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -63.4 -34.98 78.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.407 179.625 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -72.08 -32.77 67.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.78 179.662 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -56.21 -43.96 79.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -74.03 -26.2 60.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.225 -179.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -55.41 -58.58 7.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.001 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -69.5 -27.94 65.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 -179.773 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -68.43 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 111.14 -179.857 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.4 pp -53.7 -39.18 64.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.06 -179.861 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -69.84 -29.55 66.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.749 179.877 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.73 -45.49 70.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.97 0.414 . . . . 0.0 110.336 179.599 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -75.19 -22.18 58.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.753 179.46 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 81.8 m -77.28 -35.97 54.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.057 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -75.04 -24.7 58.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.396 -179.713 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.12 -33.92 13.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.343 -179.715 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.9 t -64.2 -47.13 80.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.089 -179.784 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.558 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 30.8 mt -62.12 -37.98 87.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.974 -179.8 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -55.24 -35.5 65.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.012 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 34.5 mtp -70.12 -31.36 68.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.73 -50.47 50.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.82 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.46 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 4.1 t70 -86.07 51.29 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.9 tpp -130.26 -46.3 1.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.217 -179.899 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -59.52 -19.29 47.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.956 -179.359 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.46 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 37.5 m80 -66.62 71.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.987 0.422 . . . . 0.0 111.029 -179.838 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 86' ' ' GLN . 1.5 mtm180 -51.24 -25.2 5.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.545 -179.839 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -90.16 -29.93 17.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.703 -179.383 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.3 mtm -97.76 -58.74 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.673 0.273 . . . . 0.0 111.535 -179.489 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.0 t -98.31 -168.43 1.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.078 -179.571 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.95 95.77 1.92 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.641 -179.826 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.401 ' CB ' ' HG2' ' A' ' 88' ' ' ARG . . . -96.48 34.4 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.328 . . . . 0.0 111.235 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 96' ' ' ILE . 58.2 m -99.6 -114.64 0.16 Allowed 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.787 -179.853 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.56 75.23 0.06 OUTLIER Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.567 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 94' ' ' SER . 13.1 pt -108.16 -174.64 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 111.152 -179.84 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -45.53 167.45 0.12 Allowed Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.246 179.856 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -72.4 55.7 2.58 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.859 2.373 . . . . 0.0 112.568 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.97 125.16 1.64 Allowed Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.545 -0.836 . . . . 0.0 113.037 179.601 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 ttp -144.15 140.97 29.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 0.0 110.583 179.76 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.66 134.12 40.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.588 179.74 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.37 -22.73 34.98 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.597 2.198 . . . . 0.0 112.906 -179.634 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.65 -8.87 53.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.574 -179.623 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -70.34 -33.79 71.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.839 0.352 . . . . 0.0 110.732 179.803 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -71.97 -49.21 39.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 31.7 m -57.16 -35.89 49.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.052 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -61.46 -54.72 39.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.48 179.72 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.07 -25.86 64.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.678 179.574 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 ttm -59.18 -66.05 0.57 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.787 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -29.76 26.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.811 179.892 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.3 m -58.04 -38.09 75.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.437 179.472 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.34 -47.14 85.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.706 179.638 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -59.3 -29.49 42.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.739 179.822 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.8 m -58.34 -48.61 79.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.233 179.58 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -80.65 -42.11 22.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.374 179.363 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.479 ' CE2' ' HA ' ' A' ' 47' ' ' ALA . 35.2 m95 -60.02 -51.09 71.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.733 179.773 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.5 t -53.42 -46.06 69.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.48 179.582 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -62.3 -32.02 72.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.5 179.501 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.8 ttt -73.02 -35.72 66.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.609 179.754 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -53.0 -45.18 67.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.768 179.815 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -82.5 -33.92 28.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.848 179.762 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.96 -59.85 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 tp -53.16 -44.51 67.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -60.91 -40.24 92.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.808 179.859 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.01 -31.62 58.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.792 179.928 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.88 -33.76 59.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 15.6 ttm -61.99 -53.52 54.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 173.5 39.18 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.515 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 26.2 mt -128.99 155.74 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.817 0.341 . . . . 0.0 111.062 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -123.64 133.23 53.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.7 150.56 40.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.04 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -136.6 85.35 2.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.259 -0.876 . . . . 0.0 111.084 -179.989 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.788 0.328 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.27 139.98 38.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.36 160.92 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.925 179.783 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 p -56.1 145.02 27.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.094 -179.555 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.5 p -56.57 -33.93 66.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 179.812 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.11 -30.03 68.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.37 179.6 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.401 ' HA ' ' HB3' ' A' ' 38' ' ' SER . 0.0 OUTLIER -70.96 -40.86 71.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.618 179.654 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.91 -48.77 66.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.129 179.4 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 pp -81.27 -22.54 38.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.695 179.29 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.401 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 42.9 t -61.78 -32.75 73.04 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-O 120.886 0.374 . . . . 0.0 110.6 179.756 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.8 t -86.63 -34.07 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.169 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.45 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -68.75 -27.13 65.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 110.221 179.641 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -81.11 -35.17 31.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.718 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -36.78 29.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.358 -179.698 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.59 -62.13 1.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.048 -179.653 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.57 -44.03 56.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.51 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -53.47 -49.72 66.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.055 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.78 -26.56 59.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.426 ' HA ' ' CE2' ' A' ' 116' ' ' TRP . . . -69.59 67.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.196 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.417 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 162.94 130.22 1.1 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.577 179.927 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.5 mt -79.58 156.75 75.4 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.566 0.222 . . . . 0.0 110.727 179.852 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -69.55 -76.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.579 2.186 . . . . 0.0 112.465 -179.642 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.53 -68.77 0.22 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.877 0.37 . . . . 0.0 111.605 -179.814 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -56.07 -45.81 79.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.323 -179.418 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -55.33 -25.82 37.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.083 -179.887 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.4 ' HA ' ' CG1' ' A' ' 57' ' ' VAL . 26.7 t-80 -89.26 -33.81 16.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.03 -17.24 62.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.356 -179.761 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.414 ' CD2' ' HG3' ' A' ' 127' ' ' MET . 0.6 OUTLIER -99.32 -48.03 4.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.759 0.314 . . . . 0.0 111.044 -179.821 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 54' ' ' HIS . 14.2 p -68.44 -9.9 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -179.144 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -124.36 -38.12 2.46 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.37 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.56 -9.77 43.05 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.016 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -130.1 -62.44 0.94 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.764 -179.463 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.26 149.81 0.43 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.915 -179.341 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.11 160.2 48.0 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.694 2.263 . . . . 0.0 112.244 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.43 ' HG2' ' N ' ' A' ' 64' ' ' SER . 2.6 pm0 -50.37 -30.49 12.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.117 -179.899 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.43 ' N ' ' HG2' ' A' ' 63' ' ' GLN . 30.7 t -60.75 -46.0 92.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.47 179.724 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.99 -34.41 75.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.419 179.569 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -69.06 -37.28 78.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.561 179.652 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -59.47 -36.21 75.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.617 179.741 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -68.22 -35.11 77.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.742 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -54.56 -67.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.314 -179.754 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.31 -30.76 70.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.104 -179.741 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -60.15 -65.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.412 ' CD1' ' NE1' ' A' ' 116' ' ' TRP . 4.5 pp -56.38 -36.97 69.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.21 -179.759 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.405 ' N ' ' CD1' ' A' ' 72' ' ' LEU . 4.7 t80 -72.18 -33.47 67.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.122 -179.867 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.2 m -53.39 -38.63 63.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.003 0.43 . . . . 0.0 110.378 179.655 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -78.58 -24.82 45.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.684 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 98.9 m -73.37 -46.52 48.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.096 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -62.46 -37.55 86.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.565 -179.336 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.1 -27.9 48.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.416 -179.487 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.59 -48.33 55.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.121 -179.848 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.45 ' CD2' ' HA ' ' A' ' 40' ' ' ARG . 2.8 mt -56.21 -31.04 63.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.337 . . . . 0.0 110.925 -179.914 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.94 -53.73 54.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.73 179.883 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.405 ' CB ' ' HB3' ' A' ' 105' ' ' ASN . 52.3 mtm -60.35 -20.37 59.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 179.551 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.79 -58.5 3.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.092 179.889 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.429 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 1.8 p30 -84.21 54.52 2.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.202 -179.736 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.1 tpp -130.29 -46.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.96 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -57.16 -22.65 41.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.647 -179.702 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 22.1 m80 -67.96 71.24 0.15 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.974 0.416 . . . . 0.0 111.117 -179.767 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -23.77 14.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.404 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -89.38 -40.82 12.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.526 -179.466 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.7 mtm -83.97 -65.21 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.575 -179.431 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.5 t -93.44 -170.16 2.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 111.152 -179.499 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.95 93.63 1.65 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.618 -179.767 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -94.03 34.4 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 111.259 179.881 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 96' ' ' ILE . 19.2 p -99.63 -114.28 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.663 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.76 77.68 0.01 OUTLIER Glycine 0 C--N 1.336 0.57 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.542 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 94' ' ' SER . 43.2 pt -112.29 -174.5 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.778 0.323 . . . . 0.0 111.168 -179.86 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.408 ' HB2' ' CD ' ' A' ' 98' ' ' PRO . 1.1 p-10 -46.7 168.01 0.14 Allowed Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.975 179.775 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.408 ' CD ' ' HB2' ' A' ' 97' ' ' ASN . 16.1 Cg_exo -68.29 56.07 0.83 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.782 2.321 . . . . 0.0 112.528 -179.812 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 70.42 125.13 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.694 179.689 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 ptm -134.31 165.53 24.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.798 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.0 mt -89.08 147.55 38.87 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.544 179.721 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.68 -40.29 5.63 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.604 2.203 . . . . 0.0 112.775 -179.497 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.427 ' HA ' HG23 ' A' ' 106' ' ' VAL . 0.5 OUTLIER -78.93 -8.77 59.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.763 -179.446 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.63 -36.29 82.34 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.985 0.421 . . . . 0.0 110.61 179.665 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.405 ' HB3' ' CB ' ' A' ' 82' ' ' MET . 7.9 p30 -79.01 -49.43 12.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.275 -179.78 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.427 HG23 ' HA ' ' A' ' 103' ' ' HIS . 6.5 m -59.23 -46.15 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.477 -179.607 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.413 ' N ' ' CG2' ' A' ' 106' ' ' VAL . 83.3 m-20 -61.56 -56.98 14.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.98 0.419 . . . . 0.0 110.537 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -59.7 -20.41 56.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.833 179.644 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.412 ' HE2' ' N ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -66.7 -54.56 21.76 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.875 0.369 . . . . 0.0 110.625 179.846 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -55.63 -26.7 45.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.507 179.63 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 t -65.41 -38.42 89.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.513 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.97 -45.62 92.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.707 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -27.72 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.792 179.852 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 90.0 m -61.73 -36.91 82.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.988 0.423 . . . . 0.0 110.221 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -84.44 -42.47 15.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.417 179.501 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.426 ' CE2' ' HA ' ' A' ' 47' ' ' ALA . 64.5 m95 -66.19 -50.44 63.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.614 179.607 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.3 m -57.74 -51.07 71.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.477 179.617 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -56.82 -30.9 64.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.42 179.55 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.2 ttt -71.65 -34.38 69.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.417 179.595 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -42.07 70.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.591 179.689 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -82.1 -38.17 25.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.922 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.97 -59.65 2.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 tp -52.86 -39.61 62.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -63.03 -54.29 40.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.796 179.861 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -61.58 -38.29 87.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.92 -31.66 69.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.414 ' HG3' ' CD2' ' A' ' 56' ' ' PHE . 10.0 ttm -58.98 -38.21 78.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 144.94 44.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 20.9 mt -133.27 156.75 42.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.812 0.339 . . . . 0.0 111.085 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -134.14 124.62 26.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -133.17 153.2 51.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.093 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -140.83 81.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.123 -179.948 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.6 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.801 0.334 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 m -60.58 -39.62 88.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.397 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.02 -28.08 69.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.43 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -77.54 -34.92 53.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.561 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.537 ' O ' HG12 ' A' ' 39' ' ' VAL . 2.8 mm? -52.99 -48.96 67.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.106 0.479 . . . . 0.0 109.996 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 pp -78.67 -24.25 45.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.357 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 t -64.61 -35.93 82.58 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.665 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.831 HG22 ' HG2' ' A' ' 109' ' ' MET . 6.1 p -78.57 -31.17 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.649 ' HA ' ' HE3' ' A' ' 109' ' ' MET . 0.0 OUTLIER -75.34 -22.92 57.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.17 179.249 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.402 ' N ' ' HD3' ' A' ' 40' ' ' ARG . 12.0 m80 -79.91 -33.74 39.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.795 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -76.67 -33.56 58.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.818 ' HB3' HD21 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -72.38 -64.43 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.769 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.411 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . . . -52.11 -36.56 51.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.468 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -56.04 -48.72 75.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.799 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.412 ' CB ' HD11 ' A' ' 113' ' ' ILE . 61.5 m -80.66 -27.27 37.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.811 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.652 ' HB1' ' CE1' ' A' ' 73' ' ' TYR . . . -72.04 64.59 0.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.488 ' N ' ' CZ3' ' A' ' 116' ' ' TRP . . . 173.56 103.21 0.16 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.532 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.803 HD12 ' CB ' ' A' ' 53' ' ' GLN . 3.8 mm? -57.32 141.57 77.44 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 120.535 0.207 . . . . 0.0 110.61 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.406 ' HB2' ' H ' ' A' ' 51' ' ' ARG . 32.5 Cg_exo -56.42 -82.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.377 2.051 . . . . 0.0 112.717 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.406 ' H ' ' HB2' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -148.63 -68.57 0.22 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.884 0.373 . . . . 0.0 111.398 -179.817 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.13 -37.0 52.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.376 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.803 ' CB ' HD12 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -59.22 -39.9 84.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.991 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.47 ' HA ' HG12 ' A' ' 57' ' ' VAL . 27.2 t-80 -70.12 -45.3 67.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -53.9 -24.06 14.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.254 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -95.07 -58.9 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.024 HG23 HD12 ' A' ' 65' ' ' LEU . 10.8 p -61.26 -12.97 6.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.7 t -117.45 -34.32 4.33 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.92 -9.77 18.66 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -123.95 -67.24 0.94 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.456 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -39.97 151.24 0.24 Allowed Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.155 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.4 160.29 50.01 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.896 2.398 . . . . 0.0 112.547 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -46.98 -40.72 14.97 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.292 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -56.11 -33.16 64.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.002 0.429 . . . . 0.0 110.754 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 1.024 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -82.87 -29.1 29.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.889 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -77.08 -53.03 8.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.455 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -59.77 -36.21 76.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.088 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -73.22 -25.41 60.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.771 0.32 . . . . 0.0 110.918 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.67 ' CE2' HD23 ' A' ' 49' ' ' LEU . 7.2 t80 -59.45 -60.01 4.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.761 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.74 -27.91 67.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.172 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -55.92 -66.06 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.118 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.874 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.0 pp -52.87 -34.61 55.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.977 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.874 ' N ' HD12 ' A' ' 72' ' ' LEU . 8.0 t80 -74.51 -32.12 62.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.807 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.5 t -53.22 -37.47 62.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.032 0.444 . . . . 0.0 110.547 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.63 ' O ' HG23 ' A' ' 79' ' ' THR . 0.3 OUTLIER -79.89 -28.94 39.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.749 179.625 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.816 HG23 HD13 ' A' ' 43' ' ' LEU . 41.1 m -71.43 -38.37 71.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.172 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -67.09 -45.83 76.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.2 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.8 -21.13 62.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.549 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 75' ' ' HIS . 8.5 p -79.02 -48.14 14.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.605 0.24 . . . . 0.0 111.299 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.818 HD21 ' HB3' ' A' ' 43' ' ' LEU . 6.0 mt -55.5 -34.75 64.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.789 0.328 . . . . 0.0 110.994 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -57.58 -34.01 68.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 17.9 mtm -72.59 -31.46 65.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.783 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.478 ' HB2' ' HE2' ' A' ' 109' ' ' MET . . . -67.13 -61.76 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.0 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.44 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 7.2 t0 -82.22 57.1 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.977 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.18 -49.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -56.33 -22.34 30.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.788 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 21.4 m80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 0.0 111.243 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.614 0.245 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.408 ' HB3' HD21 ' A' ' 36' ' ' LEU . 44.9 Cg_exo -56.51 -17.43 21.89 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.621 2.214 . . . . 0.0 112.796 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.431 ' HA ' HG22 ' A' ' 106' ' ' VAL . 7.3 p80 -89.63 -8.85 51.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.459 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -71.35 -33.79 69.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.875 0.369 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -76.61 -46.31 26.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.161 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.675 HG12 HG11 ' A' ' 39' ' ' VAL . 29.4 m -56.9 -39.61 66.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.264 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -61.45 -57.18 13.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.731 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.492 ' CG ' HG21 ' A' ' 79' ' ' THR . 2.8 t0 -62.36 -23.29 66.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.831 ' HG2' HG22 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -58.1 -66.2 0.52 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.168 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.505 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -56.61 -22.97 37.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.903 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.5 m -68.82 -41.08 79.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.117 0.484 . . . . 0.0 110.351 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.765 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -65.05 -45.86 83.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.624 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.505 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -61.2 -25.97 37.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.623 179.537 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 88.4 m -63.13 -37.08 85.78 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -82.86 -41.06 19.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.278 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.637 ' HZ3' HD22 ' A' ' 49' ' ' LEU . 35.9 m95 -67.19 -48.73 67.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.682 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 98.5 p -54.02 -46.97 71.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.569 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -59.86 -31.86 70.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.56 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.7 ttt -73.77 -36.16 65.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.679 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -51.29 -47.56 62.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -80.8 -33.86 34.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.061 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.99 -59.88 2.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.322 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.621 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.6 tp -51.22 -46.39 62.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.221 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.525 ' O ' HD12 ' A' ' 129' ' ' ILE . 0.1 OUTLIER -57.97 -42.65 85.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -70.19 -52.07 26.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.41 -35.91 72.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 34.1 ttm -57.54 -43.81 84.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 141.34 38.52 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.849 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.525 HD12 ' O ' ' A' ' 124' ' ' GLN . 2.8 mp . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 111.181 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.9 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.786 0.327 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.58 -32.61 63.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.791 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 m -70.78 -30.96 67.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.763 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.438 ' HA ' ' HB3' ' A' ' 38' ' ' SER . 64.5 tp60 -72.83 -44.83 60.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 36' ' ' LEU . 22.8 mt -52.78 -46.71 67.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.068 0.461 . . . . 0.0 110.139 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.422 ' C ' HD12 ' A' ' 37' ' ' LEU . 3.2 pp -81.18 -24.5 37.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.728 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.438 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 22.3 t -57.8 -48.76 78.79 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.898 0.38 . . . . 0.0 110.746 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.725 HG13 ' HE2' ' A' ' 109' ' ' MET . 14.9 p -75.87 -29.21 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.302 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.646 ' HA ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -69.88 -28.1 65.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.868 0.366 . . . . 0.0 110.393 179.672 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -72.85 -39.23 66.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -79.02 -33.47 44.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.252 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.857 ' CD1' HG23 ' A' ' 76' ' ' THR . 0.2 OUTLIER -75.97 -67.13 0.71 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.739 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 1.097 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -44.27 -44.63 8.15 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.782 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -55.94 -51.02 69.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.187 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 t -70.61 -29.04 65.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.05 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.744 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -70.98 72.85 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.186 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.455 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . -169.53 140.12 5.94 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.563 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.663 HD13 ' HD2' ' A' ' 50' ' ' PRO . 3.0 mm? -87.32 136.16 33.78 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 120.553 0.216 . . . . 0.0 110.761 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.663 ' HD2' HD13 ' A' ' 49' ' ' LEU . 33.6 Cg_endo -65.47 -85.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.26 1.973 . . . . 0.0 112.316 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -148.34 -78.36 0.15 Allowed 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 120.833 0.349 . . . . 0.0 111.354 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.02 -40.4 89.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.641 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.61 ' O ' HG12 ' A' ' 57' ' ' VAL . 26.2 mt-30 -50.57 -27.09 6.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.38 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.571 ' HA ' HG12 ' A' ' 57' ' ' VAL . 23.4 t-80 -84.49 -50.87 7.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 111.065 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -51.19 -24.89 4.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.505 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.83 -53.75 4.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.033 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.812 HG23 HD12 ' A' ' 65' ' ' LEU . 12.7 p -66.03 -9.96 9.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.41 -38.75 2.97 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.38 -9.83 29.06 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -126.36 -63.68 1.08 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.33 149.94 0.29 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.143 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.28 160.28 45.34 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.847 2.365 . . . . 0.0 112.53 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -47.79 -38.78 16.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.212 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.5 m -56.99 -46.24 82.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.764 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.812 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -66.43 -37.63 85.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.622 179.729 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -69.72 -32.91 71.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.812 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -57.0 -47.74 80.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -72.16 -27.54 62.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.517 ' HD2' HG21 ' A' ' 57' ' ' VAL . 14.6 t80 -58.91 -54.22 49.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -78.23 -30.93 49.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.077 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -64.2 -53.73 44.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.038 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.747 HD12 ' N ' ' A' ' 73' ' ' TYR . 3.9 pp -58.8 -40.94 85.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.045 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.747 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.5 t80 -75.93 -30.79 58.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.006 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 26.2 t -52.51 -37.29 57.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.597 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.63 ' O ' HG23 ' A' ' 79' ' ' THR . 55.6 m80 -79.6 -35.64 39.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.601 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.857 HG23 ' CD1' ' A' ' 43' ' ' LEU . 87.7 m -60.92 -33.82 73.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -73.2 -47.11 46.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.472 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.88 -33.96 64.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.524 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 75' ' ' HIS . 20.4 p -60.91 -61.24 2.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.334 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 1.097 HD13 ' HB2' ' A' ' 44' ' ' ALA . 18.4 mt -53.89 -30.29 45.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.8 0.333 . . . . 0.0 110.951 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -47.97 83.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.787 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.401 ' HB2' ' HB3' ' A' ' 105' ' ' ASN . 27.7 mtm -64.99 -30.42 71.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.643 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . . . -69.26 -52.98 22.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.455 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 7.8 t70 -85.96 52.88 2.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.5 tpt -130.22 -45.76 1.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -51.51 -25.62 6.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.686 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.455 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 7.3 m80 . . . . . 0 C--N 1.33 -0.258 0 CA-C-O 120.951 0.405 . . . . 0.0 110.837 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.621 HD12 ' HG3' ' A' ' 104' ' ' GLU . 0.9 OUTLIER . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 120.57 0.224 . . . . 0.0 110.693 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 101' ' ' LEU . 19.0 Cg_exo -65.95 -28.99 49.73 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.554 2.169 . . . . 0.0 112.691 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.75 -12.59 47.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.748 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.621 ' HG3' HD12 ' A' ' 101' ' ' LEU . 7.7 mm-40 -59.07 -36.27 74.77 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.971 0.415 . . . . 0.0 110.495 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.453 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 8.8 p30 -79.16 -48.94 13.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.896 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.417 ' HA ' HG11 ' A' ' 39' ' ' VAL . 28.5 t -47.86 -68.71 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.958 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -55.75 -53.44 56.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.406 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -57.34 -26.06 60.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.429 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.725 ' HE2' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -61.75 -55.66 27.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.961 0.41 . . . . 0.0 110.551 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.469 ' O ' HG22 ' A' ' 113' ' ' ILE . 4.3 mtt180 -54.01 -27.42 31.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.554 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -63.94 -37.14 86.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.528 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.678 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -60.73 -47.05 88.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -61.62 -28.64 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 80.7 m -59.96 -37.4 79.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.956 0.408 . . . . 0.0 110.285 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -87.09 -40.12 14.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.437 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.541 ' CZ3' HD22 ' A' ' 49' ' ' LEU . 37.2 m95 -65.25 -50.08 67.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.529 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.6 t -58.23 -47.21 84.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.439 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.25 -35.01 76.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.513 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.9 ttt -68.91 -37.73 79.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.726 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.92 -43.72 66.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -83.24 -33.95 25.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.46 -59.33 2.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.359 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.674 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.6 tp -54.36 -45.48 72.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.162 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.8 ' O ' HD12 ' A' ' 129' ' ' ILE . 2.0 mt-30 -57.39 -47.97 80.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -65.38 -42.24 92.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.22 -35.88 76.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.231 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 21.5 ttm -56.94 -48.97 77.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 156.86 39.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.607 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.8 HD12 ' O ' ' A' ' 124' ' ' GLN . 2.4 mt . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 120.789 0.328 . . . . 0.0 111.013 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.84 0.352 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.39 -40.19 24.9 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.797 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.3 p -63.12 -31.37 72.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.412 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -35.36 63.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.449 HD11 ' O ' ' A' ' 102' ' ' PRO . 4.5 mm? -52.88 -49.3 66.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.123 0.487 . . . . 0.0 110.103 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 pp -81.08 -25.04 37.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.595 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.9 t -58.75 -37.65 76.69 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.859 0.361 . . . . 0.0 110.683 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.4 ' HB ' ' CE ' ' A' ' 109' ' ' MET . 39.4 t -81.65 -35.39 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.167 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.708 ' HA ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -67.54 -25.25 65.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.754 0.311 . . . . 0.0 110.556 179.751 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -78.36 -38.17 42.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.703 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -79.28 -30.28 42.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.251 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.845 ' HB3' HD21 ' A' ' 80' ' ' LEU . 0.6 OUTLIER -76.36 -67.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.783 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 1.068 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -45.16 -43.78 10.25 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.574 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -56.52 -45.04 81.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 m -74.45 -23.38 58.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 48' ' ' GLY . . . -77.75 -167.7 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.076 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 47' ' ' ALA . . . 33.82 99.98 0.01 OUTLIER Glycine 0 CA--C 1.52 0.386 0 CA-C-N 115.725 -0.67 . . . . 0.0 113.963 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.656 HD13 ' HB3' ' A' ' 53' ' ' GLN . 59.0 mt -50.21 149.81 4.9 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.687 0.279 . . . . 0.0 111.069 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.69 -79.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.583 2.189 . . . . 0.0 112.44 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.18 -69.32 0.23 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.847 0.356 . . . . 0.0 110.97 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -54.07 -39.84 66.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.037 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.656 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -62.06 -28.12 69.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.518 ' HA ' HG12 ' A' ' 57' ' ' VAL . 19.0 t-80 -82.66 -45.04 15.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.48 -25.9 7.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.383 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.401 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 4.6 t80 -85.08 -58.59 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.953 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.731 HG23 HD12 ' A' ' 65' ' ' LEU . 14.7 p -61.38 -12.45 6.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -179.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -117.39 -37.76 3.45 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.64 -9.76 21.58 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -123.89 -67.61 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.404 ' CB ' ' HA ' ' A' ' 57' ' ' VAL . . . -39.26 150.82 0.22 Allowed Pre-proline 0 N--CA 1.463 0.207 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.154 -179.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.22 160.25 50.58 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.833 2.355 . . . . 0.0 112.5 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.03 -38.98 40.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.143 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.5 m -57.84 -39.35 77.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.731 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -73.83 -35.58 64.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.834 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.05 -33.71 72.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -62.27 -47.18 85.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.98 -27.07 63.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -54.47 -71.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -59.07 -24.18 62.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -63.81 -64.24 0.95 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.154 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.888 HD12 ' N ' ' A' ' 73' ' ' TYR . 3.5 pp -55.34 -30.38 60.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.106 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.888 ' N ' HD12 ' A' ' 72' ' ' LEU . 7.0 t80 -78.6 -33.6 47.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.766 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.96 -44.72 50.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.021 0.439 . . . . 0.0 110.41 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.422 ' O ' ' HB ' ' A' ' 79' ' ' THR . 4.1 m-70 -78.22 -25.71 47.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.53 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.743 HG23 HD11 ' A' ' 43' ' ' LEU . 44.5 m -73.98 -46.69 42.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -67.52 -25.24 65.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.34 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.28 -33.14 13.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.744 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.538 HG22 ' HA ' ' A' ' 76' ' ' THR . 13.0 t -65.19 -47.05 78.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.752 0.31 . . . . 0.0 110.928 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 1.068 HD13 ' HB2' ' A' ' 44' ' ' ALA . 55.5 mt -58.54 -40.03 81.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.67 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.33 -44.28 84.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.474 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.433 ' CB ' ' HB3' ' A' ' 105' ' ' ASN . 0.0 OUTLIER -58.63 -26.68 63.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.697 179.488 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.477 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . . . -82.74 -28.71 30.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -90.9 38.66 0.96 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.262 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.3 mtp -130.44 -46.59 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.003 0.43 . . . . 0.0 110.81 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -42.16 -31.21 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.864 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.866 0.365 . . . . 0.0 110.682 179.907 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.539 HD13 ' NE2' ' A' ' 103' ' ' HIS . 28.9 mt . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 120.75 0.309 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.449 ' O ' HD11 ' A' ' 36' ' ' LEU . 78.2 Cg_exo -50.05 -24.68 11.32 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.754 2.303 . . . . 0.0 112.869 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.539 ' NE2' HD13 ' A' ' 101' ' ' LEU . 4.8 p80 -89.18 -8.83 52.85 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -70.78 -33.75 71.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.023 0.439 . . . . 0.0 110.522 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.477 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 9.2 p30 -74.02 -42.14 60.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.183 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 103' ' ' HIS . 11.2 m -65.4 -37.26 79.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.802 0.334 . . . . 0.0 111.207 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.15 -52.58 63.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.807 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.35 -25.27 65.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.697 ' CG ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -63.9 -63.65 1.1 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.955 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.468 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -50.17 -30.16 10.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.795 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -61.93 -36.44 81.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.479 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.612 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -61.45 -50.72 71.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.804 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.468 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -57.06 -29.58 31.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 48.8 m -59.95 -39.66 86.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.947 0.404 . . . . 0.0 110.354 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.86 -40.37 14.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.617 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.448 ' NE1' HD13 ' A' ' 72' ' ' LEU . 74.1 m95 -66.93 -43.59 82.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.758 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 113' ' ' ILE . 68.4 m -61.8 -50.39 72.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.048 0.451 . . . . 0.0 110.042 179.19 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.89 -33.84 72.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.283 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 4.1 ttt -72.54 -36.06 68.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.608 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -50.86 -43.82 59.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.808 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.06 -41.59 20.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.964 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.54 -58.54 6.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.259 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.491 HD21 ' HB ' ' A' ' 57' ' ' VAL . 4.2 tp -52.66 -44.53 66.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -57.16 -47.98 79.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -61.62 -51.69 67.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.038 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.32 88.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.213 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.401 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 7.8 ttm -55.39 -46.52 76.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 152.9 43.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.531 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 22.4 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 111.052 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.653 HG23 ' H ' ' A' ' 35' ' ' GLN . 5.0 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.857 0.36 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -37.83 88.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.612 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.94 -31.43 72.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.743 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.653 ' H ' HG23 ' A' ' 32' ' ' THR . 10.6 tp-100 -72.95 -37.37 67.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.84 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 83' ' ' ALA . 3.0 mm? -52.86 -49.22 66.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.117 0.484 . . . . 0.0 110.151 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 pp -81.13 -23.19 38.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.587 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.5 t -55.58 -46.98 77.18 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.746 HG23 ' CE ' ' A' ' 109' ' ' MET . 0.2 OUTLIER -77.47 -40.49 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.228 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.594 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -60.57 -20.82 61.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.77 0.319 . . . . 0.0 110.25 179.492 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -81.91 -36.59 27.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.273 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.515 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 8.1 pt20 -81.58 -37.39 27.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.741 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.902 ' CD1' HG23 ' A' ' 76' ' ' THR . 0.8 OUTLIER -71.06 -58.0 3.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.824 -179.839 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.533 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -50.34 -56.01 13.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.552 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -53.17 -50.28 64.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.236 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.4 m -63.21 -27.74 69.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.664 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -76.96 78.72 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.233 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.445 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 171.84 136.18 2.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.595 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.677 HD12 ' HB3' ' A' ' 53' ' ' GLN . 3.1 mm? -88.28 135.28 33.15 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 120.503 0.192 . . . . 0.0 110.683 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -55.93 -77.45 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.251 1.967 . . . . 0.0 112.459 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -148.7 -70.43 0.21 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.836 0.351 . . . . 0.0 111.491 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -36.11 75.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.409 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.677 ' HB3' HD12 ' A' ' 49' ' ' LEU . 1.7 mp0 -52.16 -25.9 10.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.297 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.615 ' HA ' HG12 ' A' ' 57' ' ' VAL . 31.7 t-80 -90.08 -37.38 14.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.177 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -56.05 -23.35 32.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.527 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 61' ' ' ALA . 3.6 t80 -98.78 -57.96 2.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.755 0.312 . . . . 0.0 111.264 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.992 HG23 HD12 ' A' ' 65' ' ' LEU . 13.3 p -56.3 -16.63 3.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.145 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.416 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 51.7 p -117.04 -35.34 4.11 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -179.137 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.84 -9.83 22.46 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -178.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -127.27 -63.68 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.423 ' CB ' ' HA ' ' A' ' 57' ' ' VAL . . . -40.47 150.74 0.27 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.083 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.32 160.27 45.24 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.789 2.326 . . . . 0.0 112.382 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.401 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -47.17 -39.06 12.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.27 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.4 p -56.01 -37.41 69.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.994 0.426 . . . . 0.0 110.619 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.992 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -75.69 -39.22 57.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.532 179.673 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.401 ' HD2' ' HA ' ' A' ' 63' ' ' GLN . 70.4 mtt180 -70.35 -32.87 70.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.904 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -61.53 -49.87 74.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -70.18 -26.34 63.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.4 ' HD2' HG21 ' A' ' 57' ' ' VAL . 15.3 t80 -53.41 -53.97 43.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.049 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -79.49 -28.18 41.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.073 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.2 -61.84 2.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.071 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.764 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -56.32 -42.16 77.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.078 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.764 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.9 t80 -69.12 -29.06 67.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.6 t -54.95 -43.88 73.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.927 0.394 . . . . 0.0 110.548 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.94 -27.37 61.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.604 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.902 HG23 ' CD1' ' A' ' 43' ' ' LEU . 65.5 m -71.53 -36.73 71.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -74.27 -24.48 59.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.548 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.85 -26.31 14.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.558 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.563 HG22 ' HA ' ' A' ' 76' ' ' THR . 14.7 t -71.95 -48.43 45.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.313 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.66 HD21 ' HB3' ' A' ' 43' ' ' LEU . 4.6 mt -56.74 -37.09 70.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.843 0.354 . . . . 0.0 110.748 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -55.85 -47.58 77.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.773 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 77.7 mtm -65.04 -24.05 67.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.838 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.488 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -75.68 -40.49 55.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.289 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.408 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 34.8 t70 -91.43 40.94 1.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.209 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpp -130.5 -40.47 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.402 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.78 -24.24 5.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.935 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.408 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 21.4 m80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.667 0.27 . . . . 0.0 110.361 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.719 HD13 ' CE1' ' A' ' 103' ' ' HIS . 1.1 mt . . . . . 0 CA--C 1.529 0.149 0 CA-C-O 120.608 0.242 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 101' ' ' LEU . 41.0 Cg_exo -56.89 -19.17 30.65 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.64 2.227 . . . . 0.0 112.676 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.719 ' CE1' HD13 ' A' ' 101' ' ' LEU . 8.0 p80 -86.03 -22.7 27.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.179 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -53.27 -53.62 48.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.82 0.343 . . . . 0.0 110.965 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.405 HD21 HD11 ' A' ' 36' ' ' LEU . 8.6 p30 -60.67 -32.19 71.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.713 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.8 t -65.98 -62.02 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -54.71 -35.23 63.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.16 -35.57 64.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.685 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.746 ' CE ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -60.03 -50.14 74.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.512 179.781 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.412 ' O ' HG22 ' A' ' 113' ' ' ILE . 2.1 mtm105 -59.43 -30.84 68.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.482 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -34.77 74.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.639 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.681 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -64.11 -48.35 76.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.81 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.4 OUTLIER -60.6 -28.71 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.706 179.783 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 54.5 m -59.97 -41.46 92.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.358 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -85.68 -41.28 15.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.29 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.487 ' CD1' HD13 ' A' ' 72' ' ' LEU . 40.8 m95 -62.34 -50.09 73.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.408 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.2 t -57.99 -47.18 83.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.393 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.8 -32.96 71.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.528 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.0 ttt -69.17 -40.26 78.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.665 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.449 ' O ' ' NE2' ' A' ' 124' ' ' GLN . 75.4 mtt180 -51.59 -41.19 61.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.868 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -82.66 -44.26 15.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.0 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.23 -59.09 4.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.281 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.741 HD21 ' HB ' ' A' ' 57' ' ' VAL . 3.8 tp -52.78 -45.16 67.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 120' ' ' ARG . 27.6 mt-30 -57.88 -47.6 82.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.997 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -68.49 -40.53 80.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.28 -37.73 80.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 25.3 ttm -54.95 -49.1 72.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 155.25 41.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 21.6 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.343 . . . . 0.0 111.133 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.8 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.816 0.341 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.449 ' HA ' HD12 ' A' ' 36' ' ' LEU . 1.3 p -60.01 -38.9 84.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.621 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.34 -26.24 65.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.781 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -78.66 -40.23 34.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 33' ' ' SER . 50.1 mt -52.86 -44.64 66.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.02 0.438 . . . . 0.0 110.158 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 pp -81.31 -29.02 34.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.313 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.9 t -54.76 -48.13 73.0 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.839 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.463 HG13 ' HE3' ' A' ' 109' ' ' MET . 12.1 p -71.42 -38.34 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.557 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -61.73 -25.04 67.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.813 0.339 . . . . 0.0 110.369 179.661 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -74.85 -36.91 62.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.212 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.459 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 4.7 pt20 -81.69 -32.26 31.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.915 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.85 ' HB3' HD21 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -75.43 -67.2 0.68 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.591 -179.859 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 1.083 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -47.0 -46.48 21.8 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.513 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -56.43 -61.34 2.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.833 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 m -59.79 -26.49 65.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' A' ' 116' ' ' TRP . . . -73.28 63.63 0.75 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.227 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.487 ' N ' ' CZ3' ' A' ' 116' ' ' TRP . . . 174.42 112.73 0.3 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.565 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.764 HD23 ' CE2' ' A' ' 69' ' ' TYR . 3.5 mm? -59.91 147.44 79.44 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.56 0.219 . . . . 0.0 110.466 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.57 -83.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.482 2.121 . . . . 0.0 112.557 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.17 -71.14 0.21 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.798 0.332 . . . . 0.0 111.144 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.82 -35.75 45.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.495 ' CB ' HD12 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -61.31 -34.14 74.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.711 ' HA ' HG12 ' A' ' 57' ' ' VAL . 25.5 t-80 -75.65 -41.33 54.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.48 -19.45 47.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.417 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -97.56 -38.31 9.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.396 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.995 HG23 HD12 ' A' ' 65' ' ' LEU . 14.1 p -77.85 -9.6 12.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.2 m -121.68 -40.8 2.52 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -90.77 -9.8 45.22 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -129.43 -62.62 0.97 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.808 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -42.62 150.48 0.42 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.972 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.74 160.31 48.39 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.796 2.331 . . . . 0.0 112.495 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -46.45 -42.59 15.59 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.265 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.08 -31.6 61.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.796 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.995 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -84.71 -29.59 25.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.862 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -77.1 -50.43 13.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.39 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -61.62 -38.98 89.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.006 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.658 ' HD3' HD22 ' A' ' 65' ' ' LEU . 7.8 ptm180 -69.14 -26.88 65.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.81 0.338 . . . . 0.0 110.826 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.764 ' CE2' HD23 ' A' ' 49' ' ' LEU . 7.5 t80 -58.82 -59.28 5.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.761 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -71.26 -27.62 63.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.2 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.6 -60.99 2.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.09 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.737 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.5 pp -57.19 -34.27 68.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.98 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.737 ' N ' HD12 ' A' ' 72' ' ' LEU . 7.1 t80 -75.29 -32.6 61.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.877 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.36 -37.95 62.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.52 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.568 ' O ' HG23 ' A' ' 79' ' ' THR . 5.0 m80 -82.16 -24.63 34.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.62 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.765 HG23 ' CD1' ' A' ' 43' ' ' LEU . 52.8 m -72.62 -42.91 63.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -67.64 -41.3 84.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.299 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -20.5 60.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.382 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 75' ' ' HIS . 2.5 p -80.33 -52.36 7.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.663 0.268 . . . . 0.0 111.106 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 1.083 HD13 ' HB2' ' A' ' 44' ' ' ALA . 13.4 mt -55.04 -35.54 64.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.87 -24.21 35.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.104 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 68.7 mtm -81.15 -0.76 41.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.422 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.96 -25.27 9.07 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.572 0.225 . . . . 0.0 111.558 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -96.22 35.48 1.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.319 . . . . 0.0 111.205 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.5 mtt -130.87 -51.7 1.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.741 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -37.45 -69.76 0.11 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.086 -0.507 . . . . 0.0 112.079 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.098 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.713 HD12 ' CG ' ' A' ' 104' ' ' GLU . 1.1 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.52 0.2 . . . . 0.0 110.749 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -60.2 -17.81 48.23 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.418 2.079 . . . . 0.0 112.575 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.415 ' HA ' HG22 ' A' ' 106' ' ' VAL . 28.8 p-80 -94.87 -12.94 26.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.542 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.713 ' CG ' HD12 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -60.45 -28.18 68.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.904 0.383 . . . . 0.0 110.76 179.818 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.551 ' OD1' HG13 ' A' ' 106' ' ' VAL . 6.6 p30 -79.12 -54.16 6.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.335 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.551 HG13 ' OD1' ' A' ' 105' ' ' ASN . 32.8 m -55.21 -45.94 77.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.765 0.316 . . . . 0.0 111.573 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.476 ' N ' HG23 ' A' ' 106' ' ' VAL . 21.5 t0 -61.42 -54.26 45.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.871 0.367 . . . . 0.0 110.716 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -64.75 -22.83 67.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.482 ' SD ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -66.47 -62.17 1.61 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.791 0.329 . . . . 0.0 110.859 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.466 ' O ' HG22 ' A' ' 113' ' ' ILE . 2.9 ptp85 -51.8 -26.35 9.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.765 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -66.58 -37.16 84.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.547 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.646 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -61.1 -46.29 91.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.812 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.4 OUTLIER -60.02 -29.15 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 60.1 m -60.67 -39.2 87.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.212 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.88 -42.2 15.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.481 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.692 ' HZ3' HD22 ' A' ' 49' ' ' LEU . 46.2 m95 -64.63 -49.55 70.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.569 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.7 t -57.09 -43.91 82.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.539 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -59.3 -35.48 73.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.591 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.6 ttt -71.59 -32.88 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.678 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.8 ttt-85 -55.02 -41.17 70.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.809 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.17 -43.02 15.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.918 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.07 -57.02 9.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.415 HD21 ' HB ' ' A' ' 57' ' ' VAL . 6.9 tp -55.78 -43.74 77.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.403 ' O ' HD12 ' A' ' 129' ' ' ILE . 38.0 mt-30 -59.87 -45.39 92.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.27 -52.31 35.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.13 -32.45 64.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 21.1 ttm -67.06 -31.78 72.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.774 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 125.99 38.93 0.44 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.589 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.403 HD12 ' O ' ' A' ' 124' ' ' GLN . 5.9 mt . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.814 0.34 . . . . 0.0 111.054 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.788 0.327 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -54.69 -31.35 57.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 t -71.75 -29.93 65.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.655 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.421 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 60.6 tp60 -71.69 -41.37 68.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.413 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.543 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 90.2 mt -57.71 -45.6 85.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.145 0.498 . . . . 0.0 109.897 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.452 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 1.8 pp -81.2 -14.95 57.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.937 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.421 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 3.7 m -68.46 -28.29 66.91 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.831 0.348 . . . . 0.0 110.726 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.576 HG11 HG13 ' A' ' 106' ' ' VAL . 27.1 m -91.37 -38.57 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.275 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.652 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -61.88 -27.26 68.68 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.629 -0.429 . . . . 0.0 110.084 179.291 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -81.1 -40.54 23.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.405 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 3.0 pp0? -72.93 -36.59 67.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.777 HD12 ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -69.21 -62.65 1.29 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.625 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.72 -30.99 15.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -59.43 -46.28 89.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.618 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.3 m -86.48 -28.5 23.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.815 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.422 ' HB1' ' HE1' ' A' ' 73' ' ' TYR . . . -74.71 64.03 1.2 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.95 121.52 1.01 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.593 HD13 ' HD2' ' A' ' 50' ' ' PRO . 2.5 mm? -75.18 127.48 86.44 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.573 0.225 . . . . 0.0 110.802 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.593 ' HD2' HD13 ' A' ' 49' ' ' LEU . 37.6 Cg_endo -66.33 -87.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.331 2.021 . . . . 0.0 112.304 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.31 -71.34 0.21 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.887 0.375 . . . . 0.0 111.22 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -60.4 -43.61 96.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.339 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.41 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -52.61 -30.16 29.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.203 -179.741 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.607 ' HA ' HG12 ' A' ' 57' ' ' VAL . 26.7 t-80 -87.79 -36.56 17.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.902 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -21.9 31.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.308 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.431 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 1.9 t80 -95.2 -57.31 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.776 0.322 . . . . 0.0 110.995 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.931 HG23 HD12 ' A' ' 65' ' ' LEU . 15.0 p -61.11 -12.46 5.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.458 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 5.8 t -118.76 -33.43 4.24 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.062 0.394 . . . . 0.0 112.062 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.9 -9.81 18.65 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.1 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -124.23 -66.59 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.753 0.311 . . . . 0.0 111.73 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.402 ' CB ' ' HA ' ' A' ' 57' ' ' VAL . . . -41.71 153.33 0.27 Allowed Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.019 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.26 160.21 49.9 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.769 2.313 . . . . 0.0 112.445 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -52.97 -35.27 58.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.1 m -57.74 -40.88 80.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.779 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.931 HD12 HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -71.17 -29.91 65.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.815 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -74.77 -32.97 62.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -62.41 -44.96 95.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -73.24 -24.27 60.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.044 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -56.63 -57.7 11.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -72.79 -27.32 61.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.207 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.18 -60.32 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.26 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.723 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.3 pp -55.1 -44.43 74.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.194 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.723 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.2 t80 -68.9 -24.85 64.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.971 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -50.73 71.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.854 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.554 ' CE1' ' O ' ' A' ' 72' ' ' LEU . 2.1 p80 -74.16 -19.93 60.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.684 HG23 HD13 ' A' ' 43' ' ' LEU . 88.3 m -72.84 -45.92 55.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.862 0.363 . . . . 0.0 110.798 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -62.4 -42.95 99.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.359 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.67 -30.15 64.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.408 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 75' ' ' HIS . 2.8 p -70.08 -44.28 69.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.748 0.309 . . . . 0.0 110.991 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.652 HD23 ' HA ' ' A' ' 40' ' ' ARG . 23.7 mt -55.83 -25.38 41.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.89 -52.03 41.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 68.3 mtm -54.93 -26.16 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.565 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . . . -89.96 10.02 25.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.31 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -142.52 47.57 1.57 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.8 0.333 . . . . 0.0 110.663 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.22 -57.74 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.349 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -44.51 -29.14 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.092 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.7 m80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.976 -179.805 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.674 0.273 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.53 -46.71 0.84 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.474 2.116 . . . . 0.0 113.006 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -8.9 58.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.628 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -57.44 -56.44 21.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.88 0.371 . . . . 0.0 110.65 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.565 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 7.5 p30 -59.72 -49.71 76.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.816 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.576 HG13 HG11 ' A' ' 39' ' ' VAL . 31.8 t -51.34 -58.96 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.528 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -55.95 -50.98 69.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.132 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.33 -24.36 67.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.777 ' SD ' HD12 ' A' ' 43' ' ' LEU . 3.6 tpp -62.46 -58.35 7.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.997 0.427 . . . . 0.0 110.55 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.504 ' O ' HG22 ' A' ' 113' ' ' ILE . 11.1 mtp180 -55.82 -26.9 48.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.529 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 t -60.35 -40.21 89.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.571 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.706 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -63.77 -35.8 81.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.809 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 110' ' ' ARG . 1.1 tp -66.82 -32.25 57.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.801 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 110' ' ' ARG . 14.9 p -58.22 -52.0 67.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.037 0.446 . . . . 0.0 110.144 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -70.68 -49.0 51.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.441 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.48 ' CD1' HD13 ' A' ' 72' ' ' LEU . 27.1 m95 -58.34 -57.62 12.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.7 t -52.45 -42.28 64.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.71 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -61.1 -32.48 72.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.536 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.0 ttt -75.2 -37.98 60.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.762 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -50.24 -41.84 50.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.038 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -85.24 -40.23 16.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.42 -57.95 8.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.733 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.2 tp -56.87 -45.49 82.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -57.85 -47.18 83.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.989 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -66.7 -42.94 85.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.09 94.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.431 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 7.0 ttm -57.74 -44.79 86.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 151.0 45.88 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.548 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 33.6 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 111.076 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.629 HG23 ' H ' ' A' ' 35' ' ' GLN . 4.8 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.92 0.39 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -57.92 -38.08 75.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.863 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.4 m -67.05 -31.91 72.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.81 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.763 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -78.8 -34.81 45.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.465 HD11 ' O ' ' A' ' 102' ' ' PRO . 2.3 mm? -52.78 -48.13 67.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.066 0.46 . . . . 0.0 110.146 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 pp -79.1 -24.29 43.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.588 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.1 t -65.34 -29.77 70.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 35' ' ' GLN . 0.9 OUTLIER -82.58 -40.81 17.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.148 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.517 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -68.68 -20.83 64.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.743 0.306 . . . . 0.0 110.586 179.702 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.408 ' N ' ' HD3' ' A' ' 40' ' ' ARG . 13.5 m80 -81.59 -35.07 30.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 110.837 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -79.97 -34.37 38.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.891 HD13 HG23 ' A' ' 76' ' ' THR . 0.3 OUTLIER -77.26 -49.24 15.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.038 -179.538 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.465 ' HA ' HD11 ' A' ' 80' ' ' LEU . . . -53.09 -49.94 65.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.191 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.34 -49.58 77.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 m -64.35 -28.37 69.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.808 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -69.66 68.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.412 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 174.45 132.76 1.6 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.438 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.617 HD13 ' HB3' ' A' ' 53' ' ' GLN . 46.1 mt -67.03 149.78 98.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.59 0.233 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -60.8 -77.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.451 2.101 . . . . 0.0 112.548 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.53 -79.06 0.14 Allowed 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -57.38 -31.92 66.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.483 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.617 ' HB3' HD13 ' A' ' 49' ' ' LEU . 19.8 mp0 -50.76 -34.11 25.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.111 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.596 ' HA ' HG12 ' A' ' 57' ' ' VAL . 25.9 t-80 -77.71 -43.04 32.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.055 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.48 -22.06 19.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.415 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.408 ' CE2' ' HG ' ' A' ' 123' ' ' LEU . 1.0 OUTLIER -94.51 -51.94 4.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 110.978 -179.752 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.596 HG12 ' HA ' ' A' ' 54' ' ' HIS . 15.0 p -69.38 -9.82 12.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.83 -32.8 3.91 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.38 -9.88 21.78 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -129.85 -62.98 0.93 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.862 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.405 ' CB ' ' HA ' ' A' ' 57' ' ' VAL . . . -41.73 149.93 0.38 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.947 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.0 160.27 40.35 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.749 2.299 . . . . 0.0 112.42 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -30.27 11.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.5 p -61.17 -44.79 96.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.647 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.526 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -68.13 -31.51 71.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.646 179.746 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -77.08 -33.92 57.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.674 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -59.62 -45.23 92.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.777 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -71.14 -27.98 63.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -56.27 -46.94 79.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -73.33 -29.5 62.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -57.89 -65.11 0.69 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.767 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -53.61 -40.63 65.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.739 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.767 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.5 t80 -69.05 -30.18 68.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.766 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.0 p -55.26 -36.37 66.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.036 0.446 . . . . 0.0 110.315 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -24.07 40.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.529 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.891 HG23 HD13 ' A' ' 43' ' ' LEU . 62.5 m -76.38 -34.15 58.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -75.46 -30.91 60.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -37.89 19.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.185 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.466 HG22 ' HA ' ' A' ' 76' ' ' THR . 15.0 t -61.98 -44.72 96.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.763 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' ' 40' ' ' ARG . 56.9 mt -58.36 -46.84 85.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.705 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.43 -42.8 74.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.675 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 54.8 mtm -68.39 -29.16 67.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.676 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.532 ' HB2' ' CE ' ' A' ' 109' ' ' MET . . . -67.55 -52.04 43.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.997 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.465 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 1.9 p30 -87.51 47.49 1.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.014 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.3 tpp -130.29 -47.03 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.039 0.447 . . . . 0.0 110.948 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -51.84 -24.63 6.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.786 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.465 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 18.0 m80 . . . . . 0 C--N 1.331 -0.232 0 CA-C-O 120.941 0.4 . . . . 0.0 110.748 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.515 HD13 ' HE1' ' A' ' 103' ' ' HIS . 1.1 mt . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.536 0.208 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.465 ' O ' HD11 ' A' ' 36' ' ' LEU . 44.1 Cg_exo -56.11 -19.62 27.61 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.531 2.154 . . . . 0.0 112.75 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.515 ' HE1' HD13 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -98.31 -9.01 26.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.698 -179.606 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.75 -28.27 69.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.934 0.397 . . . . 0.0 110.745 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.401 ' OD1' HG13 ' A' ' 106' ' ' VAL . 3.3 p30 -79.05 -51.76 9.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.221 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.574 HG12 HG21 ' A' ' 39' ' ' VAL . 22.4 m -57.89 -28.31 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.736 0.303 . . . . 0.0 111.156 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -68.43 -57.1 6.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.324 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.87 -19.15 65.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.415 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.698 ' HG2' HG12 ' A' ' 39' ' ' VAL . 6.6 tpp -59.8 -66.02 0.58 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.735 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.767 ' O ' HG23 ' A' ' 114' ' ' THR . 0.6 OUTLIER -56.44 -26.97 55.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.724 179.654 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.33 -34.49 72.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.55 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.605 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -69.81 -45.3 68.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.998 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -60.7 -34.64 59.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.767 HG23 ' O ' ' A' ' 110' ' ' ARG . 23.6 p -58.38 -49.84 75.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.082 0.468 . . . . 0.0 110.014 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -73.34 -46.68 47.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.484 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.514 ' CD1' HD13 ' A' ' 72' ' ' LEU . 38.2 m95 -59.94 -54.93 40.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.791 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 54.8 m -52.74 -43.37 65.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.772 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -60.1 -37.86 81.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.595 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.9 ttt -63.33 -36.71 84.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.535 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -55.08 -43.52 74.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.663 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -80.9 -48.16 12.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.014 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.06 -59.46 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.308 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.576 HD21 ' HB ' ' A' ' 57' ' ' VAL . 8.5 tp -53.05 -38.36 62.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -62.96 -47.21 84.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -59.86 -51.56 69.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.73 71.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.4 ' HG3' ' CB ' ' A' ' 56' ' ' PHE . 13.4 ttm -63.23 -46.68 85.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.716 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 150.72 41.31 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.475 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 22.6 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 111.128 -180.0 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.669 HG23 ' H ' ' A' ' 35' ' ' GLN . 4.0 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.919 0.39 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -38.79 92.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.577 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.0 m -65.56 -35.06 79.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.493 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.675 ' O ' HG23 ' A' ' 39' ' ' VAL . 2.7 tt0 -72.18 -38.29 69.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.521 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.704 HD11 ' O ' ' A' ' 102' ' ' PRO . 1.9 mm? -52.91 -48.53 67.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.049 0.452 . . . . 0.0 110.141 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.454 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 3.4 pp -81.02 -18.0 48.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.741 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.4 t -73.8 -23.66 59.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.847 0.356 . . . . 0.0 110.598 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.958 HG12 ' HG2' ' A' ' 109' ' ' MET . 22.5 t -87.69 -35.46 8.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.407 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -75.29 -30.4 60.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.103 179.175 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -70.93 -37.06 72.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.106 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -77.64 -30.19 52.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.888 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.88 HD11 ' HB3' ' A' ' 112' ' ' ALA . 0.3 OUTLIER -81.3 -50.63 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 -179.623 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.498 ' HA ' HD11 ' A' ' 80' ' ' LEU . . . -53.79 -45.37 70.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.9 0.381 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -59.55 -47.74 84.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -70.62 -26.33 63.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.813 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -73.94 73.55 1.64 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.072 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.411 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 167.64 142.79 3.57 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.548 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.705 HD13 ' HA ' ' A' ' 54' ' ' HIS . 4.6 mt -75.68 122.98 88.17 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.401 0.143 . . . . 0.0 110.773 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.39 -69.15 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.263 1.975 . . . . 0.0 112.428 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -148.46 -80.71 0.13 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.731 0.3 . . . . 0.0 111.521 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -65.74 -28.37 68.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.547 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.738 ' O ' HG12 ' A' ' 57' ' ' VAL . 16.0 mp0 -50.06 -31.67 13.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.281 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.705 ' HA ' HD13 ' A' ' 49' ' ' LEU . 32.7 t-80 -79.04 -51.42 9.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.32 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -45.6 -28.14 0.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.185 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.429 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 5.8 t80 -93.47 -59.25 2.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.341 . . . . 0.0 111.247 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.744 ' HB ' HD21 ' A' ' 123' ' ' LEU . 12.1 p -58.98 -14.36 4.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.451 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 0.3 OUTLIER -117.9 -28.66 5.87 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.117 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.87 -9.79 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -124.32 -65.24 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' PHE . . . -41.0 149.94 0.32 Allowed Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.101 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.32 160.33 39.22 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.888 2.392 . . . . 0.0 112.378 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.415 ' HG2' ' N ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -47.84 -28.38 2.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.176 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.415 ' N ' ' HG2' ' A' ' 63' ' ' GLN . 73.7 p -59.31 -47.15 86.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.072 0.463 . . . . 0.0 110.629 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.641 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -76.87 -28.76 55.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.984 179.786 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' A' ' 69' ' ' TYR . 3.7 mtp180 -75.43 -51.66 12.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.562 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -57.84 -33.65 68.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.655 0.264 . . . . 0.0 111.178 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.537 ' HD3' HD22 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -74.28 -28.57 61.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.86 0.362 . . . . 0.0 110.725 179.617 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.671 ' CE2' HD11 ' A' ' 49' ' ' LEU . 6.4 t80 -55.8 -51.72 66.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.795 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -66.03 -34.18 77.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.985 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -60.63 -62.65 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.021 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.821 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -56.54 -37.83 71.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.821 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.0 t80 -74.18 -29.83 61.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.4 t -53.13 -44.89 68.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.953 0.406 . . . . 0.0 110.657 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.644 ' O ' HG23 ' A' ' 79' ' ' THR . 3.9 m-70 -73.24 -37.66 66.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.578 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.813 HG21 ' CB ' ' A' ' 47' ' ' ALA . 57.8 m -54.42 -37.95 65.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -68.31 -57.41 5.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.218 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.73 -28.46 69.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.222 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 75' ' ' HIS . 16.8 p -66.77 -55.91 12.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.369 . . . . 0.0 110.795 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.498 HD11 ' HA ' ' A' ' 44' ' ' ALA . 41.3 mt -53.47 -32.95 52.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.33 -38.46 89.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.4 ' HE3' ' HA ' ' A' ' 105' ' ' ASN . 47.1 mtm -69.91 -30.42 67.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.427 ' CB ' ' HB3' ' A' ' 40' ' ' ARG . . . -80.26 -35.46 35.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -92.51 40.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.902 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.2 -41.24 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -44.78 -28.89 0.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.803 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.784 0.326 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.61 HD13 ' HE1' ' A' ' 103' ' ' HIS . 0.6 OUTLIER . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.607 0.242 . . . . 0.0 110.582 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.704 ' O ' HD11 ' A' ' 36' ' ' LEU . 31.5 Cg_exo -59.86 -8.64 8.05 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.919 2.413 . . . . 0.0 113.929 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.61 ' HE1' HD13 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -98.82 -9.05 24.87 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.667 -179.738 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -64.2 -52.56 58.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.848 0.356 . . . . 0.0 110.734 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.414 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 10.7 p30 -64.01 -33.8 76.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 38.7 t -55.74 -67.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.324 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -52.61 -39.1 61.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.972 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.448 ' CG ' HG22 ' A' ' 79' ' ' THR . 1.2 t0 -70.04 -30.91 68.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.958 ' HG2' HG12 ' A' ' 39' ' ' VAL . 22.7 tpp -59.77 -58.53 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.15 0.5 . . . . 0.0 110.409 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.403 ' O ' HG22 ' A' ' 113' ' ' ILE . 3.0 mtp180 -55.09 -27.66 46.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.598 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.7 -41.03 80.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.052 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.88 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -67.46 -49.82 61.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.742 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.413 ' HB ' HD23 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -62.69 -25.83 39.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.796 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 87.6 m -61.49 -40.5 94.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.029 0.442 . . . . 0.0 110.029 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -85.03 -40.67 16.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.397 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.482 ' CD1' HD13 ' A' ' 72' ' ' LEU . 43.4 m95 -64.85 -47.26 78.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.586 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.4 m -57.03 -50.33 73.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.341 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -58.19 -29.84 65.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.239 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.468 ' HG3' HD13 ' A' ' 123' ' ' LEU . 12.9 ttm -69.09 -44.18 73.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.433 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -48.99 -39.53 27.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.801 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -82.77 -41.96 18.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.819 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.73 -60.02 3.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.1 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.744 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.1 tp -51.32 -45.69 62.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -62.91 -41.4 99.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.803 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -68.9 -48.33 63.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.72 -49.8 76.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.429 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 11.8 ttm -52.56 -34.26 49.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 129.04 46.32 0.18 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.588 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 22.2 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 111.092 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.467 ' O ' HD23 ' A' ' 36' ' ' LEU . 1.4 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.797 0.332 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -60.9 -42.03 97.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.424 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 t -66.66 -23.78 66.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.486 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -40.13 47.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.615 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.594 HD11 ' O ' ' A' ' 102' ' ' PRO . 4.3 mm? -52.9 -46.07 67.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.109 0.48 . . . . 0.0 109.913 179.4 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 pp -81.25 -25.65 36.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.584 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.4 t -59.32 -39.69 83.91 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.989 0.423 . . . . 0.0 110.549 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.402 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 38.6 t -78.16 -34.31 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.906 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.63 ' HA ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -68.2 -28.43 67.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.422 179.647 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -72.67 -37.86 67.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.667 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 2.0 pp0? -79.63 -30.58 41.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.046 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.866 ' CD1' HG23 ' A' ' 76' ' ' THR . 0.3 OUTLIER -77.79 -67.68 0.7 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.822 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 1.15 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -45.25 -48.19 12.82 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.794 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -53.85 -57.64 10.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.121 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.9 m -62.72 -27.52 69.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.553 ' HB1' ' CE1' ' A' ' 73' ' ' TYR . . . -71.16 64.72 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.203 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.476 ' N ' ' CZ3' ' A' ' 116' ' ' TRP . . . 179.7 109.6 0.26 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.787 HD23 ' CE2' ' A' ' 69' ' ' TYR . 2.9 mm? -60.35 146.89 83.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.565 0.221 . . . . 0.0 110.585 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -60.99 -82.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.491 2.127 . . . . 0.0 112.388 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -148.25 -67.9 0.23 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.755 0.312 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -58.82 -35.54 73.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.99 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.561 ' HB3' HD12 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -57.88 -38.0 74.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.003 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.684 ' HA ' HG12 ' A' ' 57' ' ' VAL . 29.6 t-80 -80.26 -33.98 37.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.034 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.53 -18.57 53.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.425 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.405 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 1.2 t80 -98.83 -49.27 4.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.72 0.295 . . . . 0.0 111.113 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.969 HG23 HD12 ' A' ' 65' ' ' LEU . 14.5 p -65.88 -9.99 9.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.5 p -123.97 -37.81 2.55 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.55 -9.84 39.75 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -130.19 -64.04 0.87 Allowed 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.744 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.96 149.96 0.32 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.05 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.28 160.3 45.31 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.763 2.309 . . . . 0.0 112.512 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.91 -28.59 3.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.22 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.1 m -60.8 -47.25 87.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.694 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.969 HD12 HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -77.78 -32.34 52.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.606 179.758 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -62.59 -53.07 60.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 68' ' ' ARG . 28.1 p30 -60.17 -31.74 70.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.91 0.386 . . . . 0.0 110.203 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.454 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 1.1 ttt180 -66.48 -30.78 71.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.177 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.787 ' CE2' HD23 ' A' ' 49' ' ' LEU . 7.6 t80 -60.05 -57.12 14.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.76 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -74.11 -29.05 61.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.05 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -61.01 -60.98 2.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.802 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -58.14 -36.68 73.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.802 ' N ' HD12 ' A' ' 72' ' ' LEU . 8.0 t80 -74.79 -31.7 61.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.49 -41.95 63.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.983 0.42 . . . . 0.0 110.508 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -75.26 -31.68 60.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.427 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.866 HG23 ' CD1' ' A' ' 43' ' ' LEU . 52.7 m -64.71 -42.15 95.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.953 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -62.5 -51.81 65.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.382 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.403 ' HD2' HG23 ' A' ' 79' ' ' THR . 0.0 OUTLIER -66.57 -35.07 79.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.64 -179.382 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.557 HG22 ' CB ' ' A' ' 108' ' ' ASP . 1.1 p -59.36 -55.76 30.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.704 0.287 . . . . 0.0 111.169 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 1.15 HD13 ' HB2' ' A' ' 44' ' ' ALA . 19.6 mt -55.97 -34.67 65.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -57.18 -33.1 67.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.513 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.439 ' HB2' ' HB3' ' A' ' 105' ' ' ASN . 22.1 mtp -77.73 -27.25 50.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.571 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.429 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . . . -81.86 -38.62 25.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.805 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -92.54 45.65 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.678 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.06 -41.85 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.15 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -48.35 -27.73 2.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.348 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 m80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.78 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.421 ' HB2' ' CE1' ' A' ' 103' ' ' HIS . 47.3 mt . . . . . 0 CA--C 1.531 0.228 0 CA-C-O 120.715 0.293 . . . . 0.0 110.812 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.594 ' O ' HD11 ' A' ' 36' ' ' LEU . 75.9 Cg_exo -48.56 -15.02 0.41 Allowed 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.984 2.456 . . . . 0.0 114.081 -179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.463 ' O ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -92.72 -8.67 43.22 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.5 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -79.61 -46.32 17.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.764 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.439 ' HB3' ' HB2' ' A' ' 82' ' ' MET . 13.0 p30 -62.49 -41.38 98.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.485 HG23 ' N ' ' A' ' 107' ' ' ASP . 11.2 m -59.48 -45.27 93.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.766 0.317 . . . . 0.0 110.933 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.485 ' N ' HG23 ' A' ' 106' ' ' VAL . 0.4 OUTLIER -65.38 -40.8 93.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.532 179.728 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.557 ' CB ' HG22 ' A' ' 79' ' ' THR . 9.4 m-20 -73.92 -26.5 60.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.813 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.538 ' CG ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -66.99 -58.89 4.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.919 0.39 . . . . 0.0 110.563 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.618 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -54.33 -28.67 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.619 179.57 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.1 m -62.66 -37.94 88.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.458 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.603 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -58.7 -42.96 89.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.78 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.4 OUTLIER -61.87 -27.47 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.735 179.73 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 27.7 m -60.98 -42.01 97.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.995 0.426 . . . . 0.0 110.104 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -82.35 -39.84 22.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.485 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.569 ' CZ3' HD22 ' A' ' 49' ' ' LEU . 29.5 m95 -66.57 -48.86 68.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.767 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.2 t -54.52 -46.3 73.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.527 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -59.31 -34.41 72.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.534 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 1.8 ttt -65.98 -36.96 84.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.611 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -54.59 -48.52 72.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.782 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -83.26 -42.33 17.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.975 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.94 -60.26 3.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.313 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.7 HD21 ' HB ' ' A' ' 57' ' ' VAL . 7.3 tp -54.7 -42.63 71.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -60.33 -49.42 77.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 -59.57 -48.6 81.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.28 75.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 12.5 ttm -60.06 -34.07 72.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 134.26 41.88 0.15 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.546 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 24.1 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.342 . . . . 0.0 111.1 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.863 0.363 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.85 -35.92 64.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.815 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.72 -26.63 64.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.478 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.564 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 2.3 tp-100 -72.13 -46.06 58.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.743 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.434 ' HB2' ' NE2' ' A' ' 87' ' ' HIS . 3.8 mm? -52.87 -46.41 67.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.195 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 pp -81.39 -24.9 36.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.979 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.564 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 0.6 OUTLIER -59.48 -46.24 89.38 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.795 0.331 . . . . 0.0 110.945 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.45 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . 35.6 t -74.18 -37.57 46.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.546 ' NH1' ' CE1' ' A' ' 41' ' ' HIS . 0.0 OUTLIER -64.82 -26.53 68.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.454 179.807 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.546 ' CE1' ' NH1' ' A' ' 40' ' ' ARG . 7.2 m80 -73.5 -36.87 65.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.34 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.45 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 5.9 pt20 -79.51 -31.95 42.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.757 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.917 ' CD1' HG23 ' A' ' 76' ' ' THR . 0.2 OUTLIER -77.64 -66.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.932 -179.787 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.972 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -46.41 -40.86 12.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.49 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -57.68 -57.98 10.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.85 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 31.9 t -65.01 -30.07 71.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.65 ' HB1' ' CE1' ' A' ' 73' ' ' TYR . . . -72.32 68.44 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.6 145.45 6.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.899 HD12 ' HB3' ' A' ' 53' ' ' GLN . 3.2 mm? -105.1 134.12 19.81 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.597 0.237 . . . . 0.0 110.832 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.64 -78.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.421 2.08 . . . . 0.0 112.342 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -148.12 -67.07 0.24 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.842 0.353 . . . . 0.0 111.126 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.29 -35.15 76.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.899 ' HB3' HD12 ' A' ' 49' ' ' LEU . 57.1 mt-30 -58.26 -41.32 83.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.038 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.565 ' HA ' HG12 ' A' ' 57' ' ' VAL . 24.0 t-80 -79.71 -46.96 16.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -54.63 -23.1 15.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.275 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.439 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 1.0 OUTLIER -90.12 -52.42 4.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.99 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.973 HG23 HD12 ' A' ' 65' ' ' LEU . 13.7 p -68.52 -9.83 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.4 p -121.12 -38.9 2.75 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.07 -9.9 35.18 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -128.25 -62.37 1.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.758 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.71 149.95 0.38 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.936 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.99 160.25 48.11 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.779 2.319 . . . . 0.0 112.451 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -49.46 -32.45 12.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.4 m -60.45 -45.07 95.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.732 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.973 HD12 HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -67.87 -34.41 76.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.684 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -70.31 -32.91 70.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.812 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -59.56 -48.22 82.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.813 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -73.79 -25.7 60.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.405 ' OH ' HD23 ' A' ' 49' ' ' LEU . 51.5 t80 -54.75 -62.1 1.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.146 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -70.15 -29.79 66.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.254 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -58.05 -63.89 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.245 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.835 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -54.0 -39.11 65.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.298 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.835 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.0 t80 -74.77 -28.66 60.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.229 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.0 p -52.13 -51.68 56.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.956 0.408 . . . . 0.0 110.557 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.901 ' O ' HG23 ' A' ' 79' ' ' THR . 0.0 OUTLIER -66.18 -37.23 85.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.433 179.5 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.917 HG23 ' CD1' ' A' ' 43' ' ' LEU . 87.9 m -56.05 -48.06 76.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.973 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -60.0 -31.05 69.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -86.19 -32.33 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.981 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.901 HG23 ' O ' ' A' ' 75' ' ' HIS . 81.2 p -62.07 -52.09 65.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.157 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.972 HD13 ' HB2' ' A' ' 44' ' ' ALA . 20.7 mt -62.0 -29.01 69.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.822 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -60.07 4.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.787 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 53.8 mtm -56.37 -26.82 54.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.849 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.628 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . . . -71.03 -54.27 11.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.465 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 1.3 t70 -81.74 49.96 1.43 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.251 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -130.55 -47.67 1.06 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.924 0.392 . . . . 0.0 111.041 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -61.18 -16.63 46.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.917 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.465 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 53.4 m80 . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.828 0.347 . . . . 0.0 111.254 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 10.8 mt . . . . . 0 CA--C 1.529 0.154 0 CA-C-O 120.641 0.258 . . . . 0.0 110.604 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 101' ' ' LEU . 47.8 Cg_exo -56.48 -23.92 50.18 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.554 2.169 . . . . 0.0 112.889 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.493 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -104.54 -8.79 18.78 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.365 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -51.93 -29.89 22.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.874 0.369 . . . . 0.0 111.069 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.66 ' OD1' HG13 ' A' ' 106' ' ' VAL . 6.4 p30 -79.13 -53.73 6.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.383 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.66 HG13 ' OD1' ' A' ' 105' ' ' ASN . 35.5 m -63.62 -46.24 95.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.444 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.496 ' N ' HG23 ' A' ' 106' ' ' VAL . 0.3 OUTLIER -59.1 -55.59 33.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.874 0.368 . . . . 0.0 110.877 -179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.637 ' OD2' HG22 ' A' ' 79' ' ' THR . 1.2 t70 -62.66 -26.08 68.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -50.25 70.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.888 0.375 . . . . 0.0 110.631 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.563 ' O ' HG22 ' A' ' 113' ' ' ILE . 5.6 mtp180 -57.99 -29.54 65.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.618 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.1 m -63.75 -38.8 92.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.746 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.782 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -59.2 -45.43 91.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.035 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.563 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.5 OUTLIER -63.03 -26.53 41.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.911 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 34.5 m -60.21 -40.98 92.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.028 0.442 . . . . 0.0 110.117 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.31 -41.94 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.411 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.521 ' CD1' HD13 ' A' ' 72' ' ' LEU . 41.1 m95 -63.19 -47.77 81.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.655 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 25.8 t -56.58 -49.62 74.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.456 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -59.55 -31.82 69.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.448 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.2 ttt -72.71 -32.9 66.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.519 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -43.82 74.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.56 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -84.0 -35.91 23.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.869 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.24 -59.99 2.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.15 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.492 ' HA ' HD12 ' A' ' 123' ' ' LEU . 5.6 tp -53.88 -44.72 70.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.071 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.701 ' CB ' HD12 ' A' ' 129' ' ' ILE . 6.2 mt-30 -59.24 -49.9 76.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -58.68 -50.47 73.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.014 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.15 -39.73 93.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.439 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 12.0 ttm -59.13 -33.61 71.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 135.04 39.89 0.17 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.575 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.701 HD12 ' CB ' ' A' ' 124' ' ' GLN . 33.0 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.778 0.323 . . . . 0.0 111.036 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.514 HG23 ' H ' ' A' ' 35' ' ' GLN . 12.4 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.847 0.356 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.1 m -60.5 -29.64 69.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.6 m -67.9 -36.07 79.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.64 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.539 ' OE1' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -77.47 -33.44 54.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.639 179.764 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.513 HD23 ' O ' ' A' ' 32' ' ' THR . 3.3 mm? -52.89 -48.46 67.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.207 0.527 . . . . 0.0 109.909 179.281 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 pp -81.12 -21.84 39.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.477 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.0 t -58.76 -42.93 90.06 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 120.888 0.375 . . . . 0.0 110.76 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.539 HG23 ' OE1' ' A' ' 35' ' ' GLN . 22.9 t -77.56 -43.12 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.562 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -61.53 -25.15 67.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.518 179.801 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -78.16 -34.38 49.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.827 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -27.95 26.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.806 ' CD1' HG23 ' A' ' 76' ' ' THR . 1.3 tm? -80.59 -54.83 5.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.942 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.675 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -56.7 -50.21 72.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.147 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.83 -44.38 82.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.823 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 t -75.66 -23.23 56.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.535 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -69.94 68.0 0.29 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.019 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.417 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 171.85 173.81 38.93 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.446 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.8 mt -111.02 158.01 37.07 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.594 0.235 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -66.91 -77.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.575 2.183 . . . . 0.0 112.48 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.59 -76.46 0.16 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.87 0.367 . . . . 0.0 111.338 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.68 -40.73 80.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.316 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -27.59 26.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.229 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.635 ' HA ' HG12 ' A' ' 57' ' ' VAL . 18.8 t-80 -86.5 -40.82 14.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.881 0.372 . . . . 0.0 111.009 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -16.71 51.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.437 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -98.09 -35.09 10.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.465 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.882 HG23 HD12 ' A' ' 65' ' ' LEU . 14.8 p -79.06 -9.96 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.13 -41.95 2.3 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.94 -9.78 54.83 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -130.89 -61.03 0.95 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.13 149.9 0.66 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.947 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.38 160.33 35.69 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.916 2.41 . . . . 0.0 112.484 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.42 -30.39 5.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.02 -44.93 96.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.472 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.882 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -70.72 -33.59 71.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.503 179.708 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -74.92 -33.02 61.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.767 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -58.74 -46.02 88.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.937 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -73.32 -33.39 65.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -59.69 -55.3 36.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -70.01 -29.98 67.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.025 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -64.97 -57.7 8.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.041 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.798 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.4 pp -59.34 -31.69 69.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.798 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.0 t80 -79.23 -30.35 43.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.148 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 m -54.55 -54.01 46.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.969 0.414 . . . . 0.0 110.58 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.885 ' O ' HG23 ' A' ' 79' ' ' THR . 40.0 m170 -63.88 -37.52 87.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.442 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.806 HG23 ' CD1' ' A' ' 43' ' ' LEU . 85.8 m -56.23 -43.42 78.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.798 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.43 -36.3 75.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.687 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.66 -36.29 26.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.755 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.885 HG23 ' O ' ' A' ' 75' ' ' HIS . 60.1 p -56.34 -47.76 78.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.675 HD13 ' HB2' ' A' ' 44' ' ' ALA . 5.3 mt -67.81 -37.08 81.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.74 -44.96 70.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.6 mtp -66.69 -27.71 67.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.747 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.01 -60.88 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.439 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 2.6 p30 -82.63 56.62 3.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.1 tpp -130.21 -48.67 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -55.46 -23.34 24.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.792 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.439 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 16.5 m80 . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 121.003 0.43 . . . . 0.0 111.053 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.479 HD13 ' HE1' ' A' ' 103' ' ' HIS . 1.1 mt . . . . . 0 CA--C 1.529 0.149 0 CA-C-O 120.528 0.204 . . . . 0.0 110.685 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.425 ' O ' HD11 ' A' ' 36' ' ' LEU . 42.9 Cg_exo -56.59 -23.35 48.04 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.456 2.104 . . . . 0.0 112.686 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.479 ' HE1' HD13 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -91.94 -8.85 45.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.643 -179.652 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -72.13 -29.69 64.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.936 0.398 . . . . 0.0 110.434 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.523 ' OD1' HG13 ' A' ' 106' ' ' VAL . 8.6 p30 -78.4 -47.55 17.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.077 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.523 HG13 ' OD1' ' A' ' 105' ' ' ASN . 22.1 m -58.4 -44.12 87.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.258 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.475 ' N ' HG23 ' A' ' 106' ' ' VAL . 66.1 m-20 -59.95 -50.91 71.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.749 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.578 ' HB3' HG22 ' A' ' 79' ' ' THR . 13.1 m-20 -66.09 -29.28 69.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -48.67 77.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.611 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.445 ' O ' HG22 ' A' ' 113' ' ' ILE . 7.5 mtp180 -57.19 -32.88 66.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.682 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.2 m -60.18 -38.69 83.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.738 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.64 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -60.02 -42.46 94.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.215 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.8 OUTLIER -63.68 -31.8 54.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.353 -179.675 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 110' ' ' ARG . 15.8 p -57.49 -51.81 67.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.021 0.439 . . . . 0.0 110.351 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -71.93 -47.13 54.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.729 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.482 ' CD1' HD13 ' A' ' 72' ' ' LEU . 53.9 m95 -60.27 -54.3 47.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.4 m -54.03 -47.25 71.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.025 0.44 . . . . 0.0 110.58 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -60.41 -32.69 71.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.547 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.4 ttt -73.17 -35.64 66.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.661 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -44.28 63.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.668 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -80.86 -38.81 27.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.047 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.38 -58.68 4.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.196 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.556 HD21 ' HB ' ' A' ' 57' ' ' VAL . 4.9 tp -50.98 -43.74 60.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.574 ' O ' HD12 ' A' ' 129' ' ' ILE . 0.6 OUTLIER -58.37 -40.76 83.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.776 179.872 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -64.91 -54.86 24.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.53 -29.37 69.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 16.5 ttm -64.07 -33.88 76.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 130.88 36.04 0.37 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.799 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.574 HD12 ' O ' ' A' ' 124' ' ' GLN . 2.2 mp . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 120.765 0.316 . . . . 0.0 111.017 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.447 HG22 ' H ' ' A' ' 34' ' ' SER . 5.0 m . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 120.779 0.323 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 p -47.43 -35.27 8.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.287 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.447 ' H ' HG22 ' A' ' 32' ' ' THR . 1.7 m -70.35 -32.84 70.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.434 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.418 ' HA ' ' HB3' ' A' ' 38' ' ' SER . 0.1 OUTLIER -65.7 -43.42 89.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.538 179.705 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.403 ' HG ' ' HB3' ' A' ' 86' ' ' GLN . 4.3 mm? -53.01 -50.61 63.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.09 179.424 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.495 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 1.4 pp -81.39 -17.5 48.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.198 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.418 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 34.1 t -67.93 -31.87 71.93 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.743 0.306 . . . . 0.0 111.173 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.435 ' HB ' ' HG2' ' A' ' 109' ' ' MET . 6.0 m -88.32 -37.04 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.334 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.516 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -63.53 -24.76 67.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.954 0.406 . . . . 0.0 110.404 179.492 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.432 ' CD2' HH11 ' A' ' 40' ' ' ARG . 13.8 m80 -84.19 -36.26 22.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.452 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -30.42 30.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.744 ' CD1' HG23 ' A' ' 76' ' ' THR . 0.5 OUTLIER -78.49 -58.68 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.998 -179.651 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.512 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -53.42 -43.04 67.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.359 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -57.38 -47.5 81.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.994 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.407 ' CB ' HD11 ' A' ' 113' ' ' ILE . 2.8 m -74.64 -25.92 59.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.034 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.506 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -68.96 73.65 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.066 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.412 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 162.95 118.87 0.47 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.582 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.736 HD13 ' HB3' ' A' ' 53' ' ' GLN . 22.9 mt -65.67 149.35 97.46 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.676 0.274 . . . . 0.0 110.829 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.09 -82.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.553 2.169 . . . . 0.0 112.446 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.09 -68.45 0.23 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.772 0.32 . . . . 0.0 110.994 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -32.27 71.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.731 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.736 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -62.85 -36.23 82.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.601 ' HA ' HG12 ' A' ' 57' ' ' VAL . 22.8 t-80 -84.19 -39.11 19.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -54.55 -22.52 13.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.431 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.41 ' CE2' ' HG ' ' A' ' 123' ' ' LEU . 1.2 t80 -93.88 -54.41 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.759 0.314 . . . . 0.0 111.214 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.955 HG23 HD12 ' A' ' 65' ' ' LEU . 12.3 p -65.14 -9.96 8.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.445 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 2.1 m -121.94 -28.99 4.35 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.41 -9.83 16.56 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -179.059 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -127.15 -62.15 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.704 0.288 . . . . 0.0 111.706 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.68 149.96 0.37 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.001 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.91 160.29 46.29 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.813 2.342 . . . . 0.0 112.56 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.404 ' HA ' ' CD ' ' A' ' 66' ' ' ARG . 0.7 OUTLIER -48.85 -29.0 4.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.353 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -59.88 -47.25 86.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.816 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.955 HD12 HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -77.31 -32.01 55.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.719 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.404 ' CD ' ' HA ' ' A' ' 63' ' ' GLN . 9.0 mtt180 -62.28 -53.12 59.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 68' ' ' ARG . 28.4 p30 -60.01 -31.89 70.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.894 0.378 . . . . 0.0 110.233 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.442 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 0.5 OUTLIER -66.43 -30.99 71.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.172 179.07 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -59.76 -65.18 0.72 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.922 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -57.94 -25.56 61.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.272 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -58.37 -68.22 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.249 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.848 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.5 pp -56.57 -36.56 69.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.136 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.848 ' N ' HD12 ' A' ' 72' ' ' LEU . 3.9 t80 -71.84 -29.9 64.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.0 -48.33 73.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.968 0.414 . . . . 0.0 110.511 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -73.14 -21.58 60.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.729 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.744 HG23 ' CD1' ' A' ' 43' ' ' LEU . 19.8 m -76.39 -36.77 57.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.084 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -75.29 -22.7 57.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.373 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.32 -26.85 15.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.506 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.58 HG22 ' HA ' ' A' ' 76' ' ' THR . 11.5 t -75.24 -42.32 55.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.344 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.584 HD21 ' HB3' ' A' ' 43' ' ' LEU . 20.3 mt -57.04 -35.35 69.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.116 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.71 -43.45 98.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.3 mtm -61.39 -21.26 63.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.209 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.702 ' HB2' ' CE ' ' A' ' 109' ' ' MET . . . -76.1 -40.09 53.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.763 0.316 . . . . 0.0 111.157 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.44 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 2.0 t0 -86.97 43.74 1.12 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.322 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 28.7 mtp -130.55 -44.78 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.992 0.425 . . . . 0.0 111.038 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.403 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 10.4 tp-100 -52.43 -27.37 15.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.218 -179.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 11.6 m80 . . . . . 0 C--N 1.33 -0.248 0 CA-C-O 120.94 0.4 . . . . 0.0 111.248 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.4 ' HB2' ' CG ' ' A' ' 104' ' ' GLU . 14.7 mt . . . . . 0 CA--C 1.527 0.083 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.36 -39.32 2.92 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.667 2.244 . . . . 0.0 112.801 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.36 -8.83 59.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.709 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.4 ' CG ' ' HB2' ' A' ' 101' ' ' LEU . 1.6 mm-40 -52.15 -58.01 7.87 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.933 0.397 . . . . 0.0 110.789 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -60.2 -46.44 89.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.707 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.43 -44.37 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.223 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -56.78 -55.06 39.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.804 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.9 -22.8 64.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.702 ' CE ' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -58.41 -66.07 0.55 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.845 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.444 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -56.82 -30.32 63.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.866 179.842 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.5 t -58.44 -36.25 73.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.66 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.632 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -66.61 -47.54 72.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.727 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.444 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.4 OUTLIER -62.89 -28.33 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.619 179.626 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.7 m -59.69 -38.86 82.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.266 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.507 ' HB3' HD22 ' A' ' 72' ' ' LEU . 3.6 t0 -87.16 -42.04 13.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.324 179.375 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.412 ' CH2' ' HA2' ' A' ' 48' ' ' GLY . 56.2 m95 -62.21 -49.77 74.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.488 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.4 t -58.17 -49.73 76.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.366 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -60.75 -32.62 71.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.431 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.61 ' HG2' HD22 ' A' ' 123' ' ' LEU . 3.3 ttt -65.37 -43.98 89.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.682 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -52.27 -39.77 60.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.816 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -83.05 -34.91 26.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.63 -59.38 2.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.664 HD21 ' HB ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER -52.73 -44.12 66.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.977 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -57.9 -36.29 72.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -74.12 -45.72 47.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.84 81.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.078 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 11.8 ttm -60.14 -49.38 77.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 157.65 42.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.534 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 37.2 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.121 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.723 HG23 ' H ' ' A' ' 35' ' ' GLN . 4.9 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.879 0.371 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.34 -37.89 89.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.801 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.3 m -65.88 -39.82 91.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.594 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.723 ' H ' HG23 ' A' ' 32' ' ' THR . 0.5 OUTLIER -68.08 -38.03 81.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.56 179.701 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.649 HD11 ' O ' ' A' ' 102' ' ' PRO . 2.0 mm? -52.98 -51.03 62.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.187 0.518 . . . . 0.0 110.082 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.489 ' C ' HD12 ' A' ' 37' ' ' LEU . 3.2 pp -80.98 -15.51 56.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.967 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.411 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 31.3 t -71.13 -27.59 63.68 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-O 120.828 0.347 . . . . 0.0 110.699 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 35' ' ' GLN . 14.4 t -88.05 -37.75 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.773 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.488 ' HB3' ' HE3' ' A' ' 109' ' ' MET . 0.0 OUTLIER -69.69 -28.89 66.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.301 179.476 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -75.79 -36.54 59.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.324 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.0 -31.07 31.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.815 HD11 HG23 ' A' ' 76' ' ' THR . 2.0 tm? -78.48 -57.22 3.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.548 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -54.41 -39.55 67.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.231 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.04 -49.91 76.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.37 -28.53 64.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.493 ' HB1' ' CE1' ' A' ' 73' ' ' TYR . . . -67.15 75.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.111 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.446 ' N ' ' CZ3' ' A' ' 116' ' ' TRP . . . 162.97 128.17 0.93 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.544 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.434 HD13 ' HB3' ' A' ' 53' ' ' GLN . 74.5 mt -71.8 146.12 90.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.645 0.259 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.72 -79.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.631 2.221 . . . . 0.0 112.51 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.09 -73.11 0.2 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.754 0.312 . . . . 0.0 110.973 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.43 -30.75 67.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.434 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -61.9 -30.57 70.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.429 ' HA ' HG12 ' A' ' 57' ' ' VAL . 28.9 t-80 -85.57 -37.61 19.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -60.21 -18.43 48.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.451 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.429 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 0.7 OUTLIER -94.71 -55.98 2.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.724 0.297 . . . . 0.0 111.096 -179.713 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.962 HG23 HD12 ' A' ' 65' ' ' LEU . 10.5 p -63.89 -10.43 7.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.7 p -120.72 -41.33 2.58 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.9 -9.81 41.87 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -126.9 -63.64 1.05 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.697 0.284 . . . . 0.0 111.658 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.48 150.01 0.55 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.852 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.8 160.24 48.47 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.693 2.262 . . . . 0.0 112.312 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.48 -30.25 7.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.8 m -62.17 -46.92 86.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.764 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.962 HD12 HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -65.49 -30.73 71.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.726 179.847 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -73.15 -32.94 65.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -59.86 -48.49 81.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -29.07 69.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.958 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -57.41 -62.37 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -68.2 -25.24 65.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -61.95 2.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.999 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.604 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.4 pp -58.96 -31.94 69.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.06 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.604 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.6 t80 -78.85 -31.55 45.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.965 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.4 t -55.12 -41.39 71.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.49 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.608 ' O ' HG23 ' A' ' 79' ' ' THR . 78.7 m-70 -81.2 -23.23 38.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.727 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.815 HG23 HD11 ' A' ' 43' ' ' LEU . 86.0 m -77.69 -40.94 39.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -69.15 -32.28 71.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.258 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -25.63 32.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.17 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 75' ' ' HIS . 8.5 p -77.74 -42.93 32.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.945 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 43' ' ' LEU . 21.3 mt -55.53 -35.85 66.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.791 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.38 -41.21 96.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.579 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 45.9 mtm -57.96 -37.87 74.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.726 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.495 ' HB2' ' CE ' ' A' ' 109' ' ' MET . . . -61.65 -63.24 1.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.613 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.429 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -84.39 53.81 2.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.987 179.753 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -118.9 -48.24 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.461 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.489 ' O ' ' C ' ' A' ' 87' ' ' HIS . 7.4 mt-30 -64.0 -92.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.965 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.489 ' C ' ' O ' ' A' ' 86' ' ' GLN . 28.2 m80 . . . . . 0 N--CA 1.471 0.603 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.555 HD12 ' CG ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER . . . . . 0 CA--C 1.528 0.122 0 CA-C-O 120.607 0.241 . . . . 0.0 110.568 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.649 ' O ' HD11 ' A' ' 36' ' ' LEU . 61.4 Cg_exo -51.85 -20.63 10.22 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.611 2.208 . . . . 0.0 113.046 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.437 ' NE2' HD13 ' A' ' 101' ' ' LEU . 3.6 p-80 -98.56 -8.87 25.77 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.555 ' CG ' HD12 ' A' ' 101' ' ' LEU . 2.1 mt-10 -60.05 -28.24 67.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.929 0.395 . . . . 0.0 110.768 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.449 ' OD1' HG13 ' A' ' 106' ' ' VAL . 3.4 p30 -78.94 -52.04 8.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.358 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.476 HG23 ' N ' ' A' ' 107' ' ' ASP . 32.5 m -57.83 -45.07 87.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.728 0.299 . . . . 0.0 111.474 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.476 ' N ' HG23 ' A' ' 106' ' ' VAL . 0.3 OUTLIER -62.71 -44.22 96.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.933 0.397 . . . . 0.0 110.761 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.495 ' CG ' HG21 ' A' ' 79' ' ' THR . 1.9 t0 -74.44 -28.27 60.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.495 ' CE ' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -66.97 -60.32 2.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.883 0.373 . . . . 0.0 110.616 179.885 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.504 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -49.62 -34.87 19.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.686 179.69 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.0 m -61.24 -34.61 75.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.452 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.577 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -60.6 -40.39 91.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.718 179.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -63.23 -29.58 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.634 179.736 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 91.2 m -61.09 -38.02 84.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.145 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -84.64 -42.97 14.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.343 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.446 ' CZ3' ' N ' ' A' ' 48' ' ' GLY . 44.7 m95 -63.9 -51.66 63.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.423 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.6 m -54.33 -44.79 72.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.367 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -60.84 -32.87 72.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.363 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.5 ttt -68.41 -37.11 80.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.562 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.449 ' O ' ' NE2' ' A' ' 124' ' ' GLN . 5.0 mtm180 -54.96 -41.71 71.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.596 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.0 -42.56 17.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.921 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.92 -59.9 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.56 HD21 ' HB ' ' A' ' 57' ' ' VAL . 6.3 tp -53.21 -42.58 66.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 120' ' ' ARG . 13.7 mt-30 -58.74 -49.68 76.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -60.29 -51.41 69.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.23 -35.97 78.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.999 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 30.7 ttm -58.34 -27.8 64.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 132.14 32.98 0.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.621 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 24.2 mt . . . . . 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.34 . . . . 0.0 110.996 179.916 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.702 HG23 ' H ' ' A' ' 35' ' ' GLN . 12.0 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.09 -30.72 49.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.264 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -68.9 -33.63 74.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.702 ' H ' HG23 ' A' ' 32' ' ' THR . 6.2 tp-100 -69.4 -42.32 75.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.814 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.439 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 4.4 mm? -52.92 -49.5 65.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.085 0.469 . . . . 0.0 110.104 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.447 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 2.5 pp -80.99 -16.81 52.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.03 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.41 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 36.7 t -66.88 -28.23 68.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.81 0.338 . . . . 0.0 110.721 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.748 HG11 HG13 ' A' ' 106' ' ' VAL . 6.1 m -90.93 -38.21 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.621 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -65.14 -26.21 68.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.897 0.379 . . . . 0.0 110.112 179.335 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -84.44 -34.66 23.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.497 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -79.8 -35.65 38.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 -179.862 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.85 HD13 HG23 ' A' ' 76' ' ' THR . 0.0 OUTLIER -72.3 -64.44 0.95 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.853 0.358 . . . . 0.0 110.891 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.04 -37.2 20.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.484 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -58.39 -47.88 82.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.597 ' CB ' HD11 ' A' ' 113' ' ' ILE . 0.3 OUTLIER -78.67 -27.85 45.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.998 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 48' ' ' GLY . . . -65.03 -163.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.508 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 33.97 102.51 0.01 OUTLIER Glycine 0 CA--C 1.522 0.528 0 CA-C-N 115.981 -0.554 . . . . 0.0 114.224 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.905 HD22 ' CZ3' ' A' ' 116' ' ' TRP . 2.2 mm? -50.5 163.47 0.46 Allowed Pre-proline 0 N--CA 1.463 0.214 0 O-C-N 122.842 -0.211 . . . . 0.0 110.599 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.458 ' HD2' HD12 ' A' ' 49' ' ' LEU . 41.8 Cg_endo -69.44 -87.23 0.0 OUTLIER 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.363 2.042 . . . . 0.0 112.537 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.18 -67.77 0.24 Allowed 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.831 0.348 . . . . 0.0 111.123 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -56.17 -37.92 70.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.108 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.428 ' O ' HG12 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -55.08 -25.72 33.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.671 ' HA ' HG12 ' A' ' 57' ' ' VAL . 26.8 t-80 -82.19 -40.81 21.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.874 0.369 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -56.93 -21.24 28.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.497 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -97.44 -50.29 4.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.739 0.304 . . . . 0.0 111.307 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.026 HG23 HD12 ' A' ' 65' ' ' LEU . 13.9 p -65.82 -9.96 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.6 t -122.18 -37.96 2.76 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.41 -9.73 40.6 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -130.64 -63.27 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.863 0.319 . . . . 0.0 111.863 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.479 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -41.62 151.17 0.32 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.12 -179.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.68 160.38 46.52 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.803 2.335 . . . . 0.0 112.549 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -46.12 -42.22 13.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.329 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.93 -35.13 63.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.985 0.422 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 1.026 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -82.53 -29.22 30.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.791 179.711 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -77.02 -53.08 8.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.51 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -59.73 -35.77 75.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.072 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -72.59 -28.37 62.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.799 0.333 . . . . 0.0 110.77 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.797 ' CE2' HD23 ' A' ' 49' ' ' LEU . 7.3 t80 -56.55 -59.99 4.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -71.34 -28.49 64.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.164 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -58.46 -64.19 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.017 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.812 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.2 pp -55.93 -29.86 60.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.812 ' N ' HD12 ' A' ' 72' ' ' LEU . 8.4 t80 -78.57 -35.7 45.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.4 m -49.15 -43.9 42.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.895 0.379 . . . . 0.0 110.43 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.796 ' O ' HG23 ' A' ' 79' ' ' THR . 2.1 t-160 -73.32 -33.65 65.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.101 179.217 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.85 HG23 HD13 ' A' ' 43' ' ' LEU . 99.8 m -66.58 -55.37 15.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.629 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.435 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 2.0 mt-30 -50.09 -36.28 28.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.236 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.35 -44.72 24.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 75' ' ' HIS . 41.1 p -55.45 -28.2 52.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.961 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' A' ' 40' ' ' ARG . 18.2 mt -75.2 -32.17 61.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.693 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -64.05 -48.4 76.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.576 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.2 mtp -61.11 -19.14 61.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.875 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.576 ' HB2' ' HE2' ' A' ' 109' ' ' MET . . . -95.31 23.87 5.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.523 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -142.58 22.74 1.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.695 0.283 . . . . 0.0 111.198 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.8 tpt -130.39 -34.4 1.6 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -53.05 -23.28 7.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.4 m80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 111.437 -179.562 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.486 HD12 ' HG2' ' A' ' 104' ' ' GLU . 3.6 mt . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.633 0.254 . . . . 0.0 110.759 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.93 -39.93 3.88 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.501 2.134 . . . . 0.0 112.731 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.52 -8.67 58.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.698 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.486 ' HG2' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -44.24 -63.24 0.92 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.843 0.354 . . . . 0.0 111.219 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -59.58 -53.05 62.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.748 HG13 HG11 ' A' ' 39' ' ' VAL . 21.6 t -46.3 -61.3 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.588 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.41 -55.83 29.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.078 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.03 -21.29 44.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.361 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.576 ' HE2' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -67.17 -60.27 2.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.877 -179.833 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.515 ' O ' HG22 ' A' ' 113' ' ' ILE . 4.7 ptp85 -52.07 -25.49 8.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.8 t -65.87 -39.96 91.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.128 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.622 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -63.11 -43.28 98.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.662 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.597 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -62.54 -28.69 45.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.707 179.722 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 79.2 m -61.4 -39.23 89.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.069 0.462 . . . . 0.0 110.129 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -86.73 -38.92 16.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.515 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.905 ' CZ3' HD22 ' A' ' 49' ' ' LEU . 37.0 m95 -68.9 -45.88 69.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.015 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 54.6 m -62.21 -43.49 98.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.035 0.445 . . . . 0.0 110.189 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -61.76 -34.27 75.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.417 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.0 ttt -72.26 -36.33 69.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.697 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -51.69 -44.2 63.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.78 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -81.89 -39.65 23.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.01 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.27 -59.44 3.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.189 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.441 HD21 ' HB ' ' A' ' 57' ' ' VAL . 4.8 tp -52.48 -42.48 64.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.227 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.602 ' OE1' HD13 ' A' ' 129' ' ' ILE . 0.0 OUTLIER -60.66 -54.11 49.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.831 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 44.8 m170 -59.75 -45.46 92.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.022 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.88 84.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.266 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 10.2 ttm -58.51 -30.76 67.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 136.42 41.65 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.575 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.602 HD13 ' OE1' ' A' ' 124' ' ' GLN . 12.0 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.756 0.312 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.423 HG23 ' H ' ' A' ' 35' ' ' GLN . 1.5 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.787 0.327 . . . . 0.0 110.712 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.4 m -54.78 -26.37 34.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 82.3 p -70.74 -35.61 72.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.502 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 1.3 tm0? -69.54 -41.89 75.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.014 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.525 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 55.5 mt -52.91 -48.62 67.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.072 0.463 . . . . 0.0 110.385 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 pp -81.15 -22.38 39.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.832 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.502 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 5.7 m -59.69 -33.77 72.02 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.869 0.366 . . . . 0.0 110.492 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.449 ' HB ' ' HG2' ' A' ' 109' ' ' MET . 10.6 m -85.15 -41.78 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.348 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.668 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -59.49 -25.27 64.31 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.141 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.411 ' NE2' ' NH1' ' A' ' 40' ' ' ARG . 4.5 m-70 -78.97 -38.34 37.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.255 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.404 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -81.08 -31.08 34.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.993 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 1.094 HD13 HG23 ' A' ' 76' ' ' THR . 0.0 OUTLIER -71.67 -64.22 0.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.7 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.42 -37.71 49.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.422 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.84 -57.86 9.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.025 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.2 m -68.57 -28.71 67.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.581 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -67.48 74.36 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.203 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.98 140.36 2.85 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.726 HD13 ' HB3' ' A' ' 53' ' ' GLN . 38.9 mt -82.75 141.71 44.75 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.516 0.198 . . . . 0.0 110.765 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.405 ' HD2' ' HB2' ' A' ' 53' ' ' GLN . 43.9 Cg_exo -55.24 -76.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.285 1.99 . . . . 0.0 112.554 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.61 -72.29 0.2 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.771 0.319 . . . . 0.0 111.52 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.38 -37.04 79.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.422 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.726 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -52.0 -25.86 9.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.275 -179.728 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.597 ' HA ' HG12 ' A' ' 57' ' ' VAL . 22.5 t-80 -86.11 -39.18 17.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.877 0.37 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.31 -17.32 28.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.682 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -98.67 -47.58 5.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.722 0.296 . . . . 0.0 111.214 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.924 HG23 HD12 ' A' ' 65' ' ' LEU . 13.3 p -68.19 -9.93 11.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 93.7 p -123.8 -37.79 2.57 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.92 -9.81 47.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -134.16 -60.55 0.81 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.911 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.405 ' CB ' ' HA ' ' A' ' 57' ' ' VAL . . . -40.65 149.99 0.3 Allowed Pre-proline 0 N--CA 1.463 0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.084 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -73.86 160.33 43.58 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.801 2.334 . . . . 0.0 112.544 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -46.93 -41.87 16.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.231 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.1 p -55.01 -33.12 62.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.031 0.443 . . . . 0.0 110.599 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.924 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -81.11 -33.35 33.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.661 179.693 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -77.01 -53.06 8.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.548 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.7 p30 -58.09 -34.07 69.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.262 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -74.05 -26.96 60.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.845 0.355 . . . . 0.0 110.739 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -57.88 -59.73 4.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.0 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.66 -28.86 70.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.988 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.43 -67.18 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.02 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.828 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.5 pp -54.27 -39.76 67.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.017 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.828 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.2 t80 -68.9 -33.57 73.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.71 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.39 -37.01 55.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.097 0.475 . . . . 0.0 110.268 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.99 -26.81 48.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.569 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . 1.094 HG23 HD13 ' A' ' 43' ' ' LEU . 61.9 m -75.51 -36.47 60.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.187 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.73 -25.4 59.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.447 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.14 -27.26 16.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.603 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 76' ' ' THR . 13.0 t -71.9 -46.89 56.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.345 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.782 HD21 ' HB3' ' A' ' 43' ' ' LEU . 4.8 mt -49.33 -35.26 17.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.851 0.358 . . . . 0.0 110.932 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -55.93 -32.81 64.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.604 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 46.0 mtm -71.01 -24.98 62.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.762 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.835 ' HB2' ' CE ' ' A' ' 109' ' ' MET . . . -76.33 -37.88 56.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.79 46.14 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.91 -63.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.036 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.413 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -34.72 -62.35 0.36 Allowed 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -178.824 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.4 ' CE1' ' O ' ' A' ' 83' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.861 0.362 . . . . 0.0 111.144 -179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.583 HD13 ' HE1' ' A' ' 103' ' ' HIS . 15.0 mt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.737 0.303 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.34 -36.28 2.44 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.65 2.234 . . . . 0.0 112.72 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.583 ' HE1' HD13 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -87.96 -8.97 54.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.633 -179.671 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.579 ' CG ' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -57.27 -50.48 72.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.968 0.414 . . . . 0.0 110.74 179.823 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -63.37 -37.84 88.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.798 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 26.5 t -68.53 -57.67 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.159 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.55 -49.27 75.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.032 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.07 -24.71 67.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.835 ' CE ' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -68.65 -61.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.826 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.508 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -57.18 -21.39 32.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.976 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.86 -38.13 79.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.925 0.393 . . . . 0.0 110.489 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.737 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -65.15 -45.92 83.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.7 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.6 OUTLIER -62.4 -25.58 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.696 179.61 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 68.9 m -63.03 -38.98 93.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.022 0.439 . . . . 0.0 109.898 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -83.09 -40.07 20.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.253 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.451 ' CD1' HD13 ' A' ' 72' ' ' LEU . 48.8 m95 -67.14 -48.69 67.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.568 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.2 t -54.21 -46.32 72.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.556 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -58.38 -31.8 67.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.385 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.2 ttt -72.86 -31.78 64.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.522 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -55.83 -43.28 76.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.613 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -85.86 -33.86 21.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.884 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.62 -57.83 4.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.689 HD21 ' HB ' ' A' ' 57' ' ' VAL . 5.6 tp -57.5 -45.25 85.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.007 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -58.23 -48.86 79.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.025 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -65.87 -42.22 90.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.1 -38.05 81.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 21.7 ttm -57.4 -51.08 70.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 159.91 39.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.441 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 42.1 mt . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 111.051 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.649 HG23 ' H ' ' A' ' 35' ' ' GLN . 8.5 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.792 0.33 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.8 p -60.33 -37.53 80.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.621 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.9 m -65.83 -30.64 71.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.544 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.649 ' H ' HG23 ' A' ' 32' ' ' THR . 0.7 OUTLIER -77.19 -34.6 56.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.74 179.811 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.767 HD21 ' HB2' ' A' ' 102' ' ' PRO . 1.9 mm? -52.84 -49.14 66.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.132 0.491 . . . . 0.0 109.944 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 pp -79.17 -26.84 42.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.282 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 t -59.61 -32.71 70.66 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.997 0.427 . . . . 0.0 110.432 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.74 HG21 HG12 ' A' ' 106' ' ' VAL . 24.9 t -78.03 -51.47 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.739 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.563 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -59.05 -22.8 61.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.816 0.341 . . . . 0.0 110.264 179.39 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.422 ' CD2' ' NH1' ' A' ' 40' ' ' ARG . 1.9 m-70 -77.55 -33.31 54.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.718 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 1.2 pt20 -81.83 -29.56 32.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.879 HD12 ' HG3' ' A' ' 109' ' ' MET . 0.0 OUTLIER -77.8 -59.68 2.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 -179.81 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.66 -36.55 62.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.367 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.88 -48.49 81.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.9 m -77.9 -26.74 49.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.073 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.47 ' O ' ' O ' ' A' ' 48' ' ' GLY . . . -69.11 -163.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.137 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.528 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 34.16 107.49 0.0 OUTLIER Glycine 0 CA--C 1.522 0.513 0 CA-C-N 115.827 -0.624 . . . . 0.0 114.465 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.701 HD23 ' CE2' ' A' ' 69' ' ' TYR . 2.7 mm? -53.19 150.07 11.9 Favored Pre-proline 0 N--CA 1.462 0.15 0 CA-C-O 120.652 0.263 . . . . 0.0 110.972 179.295 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.39 -81.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.469 2.113 . . . . 0.0 112.184 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.28 -69.91 0.22 Allowed 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.792 0.33 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.34 -30.06 68.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.233 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.453 ' O ' HG12 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -55.22 -27.34 45.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.265 -179.871 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.599 ' HA ' HG12 ' A' ' 57' ' ' VAL . 30.7 t-80 -89.57 -28.5 19.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.173 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -64.61 -20.77 66.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.523 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.426 ' CD2' ' HG3' ' A' ' 127' ' ' MET . 0.0 OUTLIER -99.6 -49.91 4.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.727 0.299 . . . . 0.0 111.12 -179.634 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.911 HG23 HD12 ' A' ' 65' ' ' LEU . 14.4 p -66.42 -9.88 9.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.6 t -121.01 -39.88 2.67 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.01 -9.91 46.87 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.16 0.429 . . . . 0.0 112.16 -179.104 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -129.27 -59.15 1.11 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.716 0.293 . . . . 0.0 111.5 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.402 ' CB ' ' HA ' ' A' ' 57' ' ' VAL . . . -46.52 150.04 1.28 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.649 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.77 160.26 46.63 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -48.75 -36.11 15.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.135 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.1 m -59.32 -38.23 79.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.717 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.911 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -72.74 -34.94 67.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.683 179.755 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -73.41 -32.93 64.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.814 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -60.38 -46.64 89.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.707 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -73.72 -29.09 62.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.701 ' CE2' HD23 ' A' ' 49' ' ' LEU . 10.0 t80 -51.2 -58.09 7.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -75.54 -28.46 59.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.223 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.87 -65.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.088 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.856 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.5 pp -54.12 -37.75 64.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.069 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.856 ' N ' HD12 ' A' ' 72' ' ' LEU . 9.7 t80 -70.38 -31.36 68.57 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.644 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.42 -46.86 63.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.913 0.387 . . . . 0.0 110.282 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -72.26 -23.99 61.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.365 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.725 HG23 HD13 ' A' ' 43' ' ' LEU . 91.6 m -77.75 -53.99 6.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -59.59 -24.35 63.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.574 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.42 -38.36 12.04 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 76' ' ' THR . 12.4 t -63.24 -41.06 99.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.736 0.303 . . . . 0.0 111.04 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.788 HD21 ' HB3' ' A' ' 43' ' ' LEU . 31.4 mt -56.89 -39.92 75.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.921 0.391 . . . . 0.0 110.797 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -45.66 91.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.75 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 50.4 mtm -58.45 -31.62 67.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.688 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.467 ' CB ' ' HE3' ' A' ' 109' ' ' MET . . . -69.28 -56.43 7.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.793 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.446 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 19.0 t70 -84.64 55.14 3.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.742 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.24 -47.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.15 -25.99 25.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.571 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.446 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 11.8 m80 . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 120.93 0.395 . . . . 0.0 110.93 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.437 ' HB2' ' CE1' ' A' ' 103' ' ' HIS . 44.3 mt . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 120.677 0.275 . . . . 0.0 110.727 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.767 ' HB2' HD21 ' A' ' 36' ' ' LEU . 19.5 Cg_endo -61.46 -9.94 14.72 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.746 2.298 . . . . 0.0 113.639 -179.192 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.443 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -91.64 -8.75 46.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.664 0.269 . . . . 0.0 111.437 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.62 -29.81 65.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.904 0.383 . . . . 0.0 110.592 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -79.11 -49.38 12.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.124 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.74 HG12 HG21 ' A' ' 39' ' ' VAL . 36.0 m -52.81 -45.36 50.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.226 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.478 ' N ' HG23 ' A' ' 106' ' ' VAL . 2.9 m-20 -64.08 -49.8 70.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.515 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.73 -24.07 66.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.965 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.879 ' HG3' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -72.21 -53.48 12.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.62 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.475 ' O ' HG22 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -53.92 -25.85 22.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.49 179.497 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -71.08 -38.27 72.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.425 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.698 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -60.54 -46.27 90.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.625 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -61.24 -27.81 42.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.807 179.711 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 25.9 m -59.98 -43.02 95.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.982 0.42 . . . . 0.0 110.252 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.6 -37.14 18.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.602 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.528 ' CH2' ' N ' ' A' ' 48' ' ' GLY . 35.5 m95 -68.44 -43.12 77.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.845 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 67.5 m -62.18 -45.45 93.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.125 0.488 . . . . 0.0 109.757 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -62.7 -39.39 93.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.278 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.416 ' HG2' HD22 ' A' ' 123' ' ' LEU . 3.1 ttt -65.85 -37.1 85.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.547 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.32 -43.92 64.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.729 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -81.42 -33.96 31.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.949 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.49 -60.86 2.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.313 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.416 HD22 ' HG2' ' A' ' 119' ' ' MET . 1.1 tp -51.0 -45.56 61.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.05 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -58.58 -48.9 79.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -60.86 -53.29 59.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.212 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . . . -58.95 -36.79 75.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.397 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.426 ' HG3' ' CD2' ' A' ' 56' ' ' PHE . 9.9 ttm -55.47 -43.51 75.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 154.81 41.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 22.3 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 111.045 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.685 HG23 ' HB2' ' A' ' 35' ' ' GLN . 1.1 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.886 0.374 . . . . 0.0 111.297 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -37.73 53.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.199 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 38' ' ' SER . 5.3 m -61.4 -43.46 98.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.518 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.685 ' HB2' HG23 ' A' ' 32' ' ' THR . 0.2 OUTLIER -67.81 -41.37 83.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.628 179.74 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 36' ' ' LEU . 1.9 mm? -53.65 -48.9 68.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.067 0.46 . . . . 0.0 109.933 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.492 ' C ' HD12 ' A' ' 37' ' ' LEU . 2.0 pp -81.11 -17.03 51.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.185 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.545 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 0.3 OUTLIER -70.96 -24.29 62.39 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.742 179.714 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.669 HG12 ' HG2' ' A' ' 109' ' ' MET . 3.1 t -89.66 -43.02 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.536 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.536 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -63.07 -27.37 69.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.348 179.639 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -79.08 -38.63 35.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.489 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -79.78 -31.5 40.84 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.233 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.85 HD13 HG23 ' A' ' 76' ' ' THR . 0.1 OUTLIER -74.36 -60.99 2.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.018 -179.649 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.8 -41.8 45.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.303 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.38 -47.49 85.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.663 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.428 ' CB ' HD11 ' A' ' 113' ' ' ILE . 0.3 OUTLIER -74.27 -26.26 60.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.955 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.508 ' HB2' HG21 ' A' ' 76' ' ' THR . . . -69.03 69.39 0.19 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.068 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.46 144.88 5.8 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.612 HD11 HG11 ' A' ' 57' ' ' VAL . 71.5 mt -82.46 144.71 50.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.602 0.239 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -54.65 -76.45 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.451 2.101 . . . . 0.0 112.656 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.36 -80.99 0.13 Allowed 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -60.84 -30.09 69.89 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.803 0.335 . . . . 0.0 111.304 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -50.09 -34.88 23.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.061 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.45 ' HA ' HG12 ' A' ' 57' ' ' VAL . 28.4 t-80 -76.14 -45.33 34.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.218 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -55.45 -21.25 15.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.474 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.42 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 1.9 t80 -91.65 -54.45 3.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 111.121 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.047 HG23 HD12 ' A' ' 65' ' ' LEU . 13.3 p -67.92 -9.9 11.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -179.146 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 t -122.0 -34.8 3.28 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.13 -9.77 20.23 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -123.02 -68.28 0.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.765 0.317 . . . . 0.0 111.644 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.442 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -43.01 149.89 0.48 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.855 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.65 160.26 41.39 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.746 2.297 . . . . 0.0 112.331 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -46.58 -29.95 2.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.2 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 p -61.7 -47.06 87.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.659 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 1.047 HD12 HG23 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -64.09 -31.08 72.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.629 179.694 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -73.79 -32.96 64.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.697 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -56.91 -48.17 78.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.796 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -69.93 -34.87 74.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.555 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -60.05 -48.18 82.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.645 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -75.28 -31.74 60.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.785 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -59.44 -58.52 8.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.773 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.789 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -58.61 -38.33 77.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.764 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.789 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.0 t80 -72.04 -29.59 64.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.07 -39.43 72.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.998 0.428 . . . . 0.0 110.239 179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -78.01 -24.71 47.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.617 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.85 HG23 HD13 ' A' ' 43' ' ' LEU . 31.0 m -76.83 -40.12 48.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -70.49 -25.36 63.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.174 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.34 -39.51 10.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.368 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.577 HG22 ' HA ' ' A' ' 76' ' ' THR . 14.7 t -61.02 -38.29 85.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.768 0.318 . . . . 0.0 110.931 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.536 HD23 ' HA ' ' A' ' 40' ' ' ARG . 42.0 mt -59.84 -34.93 73.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.79 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.23 -49.77 74.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.781 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 76.1 mtm -55.25 -24.16 26.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.989 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.677 ' HB2' ' HE1' ' A' ' 109' ' ' MET . . . -77.3 -46.91 21.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.991 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.418 ' HA ' ' CD2' ' A' ' 87' ' ' HIS . 0.7 OUTLIER -85.08 47.83 1.47 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.185 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -130.38 -47.95 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -51.99 -31.26 28.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.921 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.431 ' CE1' ' HB3' ' A' ' 37' ' ' LEU . 9.8 m-70 . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.893 0.378 . . . . 0.0 110.951 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.618 0.247 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.34 -47.43 4.39 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.54 2.16 . . . . 0.0 112.59 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.593 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -84.82 -8.63 58.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.608 -179.655 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.47 -37.56 12.02 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.803 0.335 . . . . 0.0 111.356 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.58 ' OD1' HG13 ' A' ' 106' ' ' VAL . 4.3 p30 -79.12 -58.91 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.437 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.593 HG22 ' HA ' ' A' ' 103' ' ' HIS . 29.4 m -52.86 -45.81 51.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.708 0.29 . . . . 0.0 111.557 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.487 ' N ' HG23 ' A' ' 106' ' ' VAL . 0.9 OUTLIER -60.95 -57.1 14.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.382 . . . . 0.0 110.757 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -63.29 -21.35 66.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.677 ' HE1' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -64.56 -62.66 1.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.845 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.477 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -53.01 -25.89 13.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.719 179.745 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -66.94 -37.44 84.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.554 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.618 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -62.39 -43.32 99.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.853 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.477 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.2 OUTLIER -63.63 -30.23 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.748 179.826 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 90.3 m -60.14 -35.24 74.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.31 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -86.87 -41.87 13.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.547 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.46 ' CD1' HD13 ' A' ' 72' ' ' LEU . 49.0 m95 -66.35 -50.77 62.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.517 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.8 t -56.65 -49.56 74.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.36 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.68 -33.18 71.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.339 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.6 ttt -69.24 -35.45 76.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.601 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -54.4 -44.65 72.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.585 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -81.92 -38.18 25.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.912 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.01 -60.22 2.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.273 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.697 HD21 ' HB ' ' A' ' 57' ' ' VAL . 4.6 tp -52.9 -39.66 62.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.85 -44.5 90.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -67.32 -44.61 78.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.33 -31.42 72.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.97 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 9.9 ttm -62.51 -45.94 90.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 151.14 44.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 26.3 mt . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.327 . . . . 0.0 111.132 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.664 HG23 ' H ' ' A' ' 35' ' ' GLN . 9.0 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.848 0.356 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.2 m -60.1 -37.16 79.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.732 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -33.93 76.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.734 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.664 ' H ' HG23 ' A' ' 32' ' ' THR . 0.5 OUTLIER -70.33 -38.24 74.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.933 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 83' ' ' ALA . 4.1 mm? -52.72 -50.6 63.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.106 0.479 . . . . 0.0 110.15 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 pp -81.33 -23.07 38.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.295 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.607 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 0.3 OUTLIER -61.49 -45.26 94.98 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.825 0.345 . . . . 0.0 110.656 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.2 t -72.78 -37.62 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.728 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.513 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -66.38 -25.34 66.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.241 179.539 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -73.95 -35.08 64.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.367 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 5.1 pt20 -80.78 -32.14 35.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.712 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.862 ' HB3' HD21 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -77.44 -65.79 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.809 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 1.047 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -46.75 -45.52 19.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.592 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -55.77 -46.66 77.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.863 0.363 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -73.83 -24.71 59.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.622 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -73.61 63.47 0.83 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.462 ' N ' ' CZ3' ' A' ' 116' ' ' TRP . . . -178.93 113.04 0.39 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.561 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.553 HD22 ' HZ3' ' A' ' 116' ' ' TRP . 3.7 mm? -59.54 148.74 73.25 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.605 0.241 . . . . 0.0 110.496 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -62.06 -85.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.453 2.102 . . . . 0.0 112.459 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -148.25 -77.17 0.16 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.785 0.326 . . . . 0.0 111.14 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -53.15 -34.92 58.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.259 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.481 ' HB3' HD12 ' A' ' 49' ' ' LEU . 2.7 mp0 -58.13 -35.21 71.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.969 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.584 ' HA ' HG12 ' A' ' 57' ' ' VAL . 30.9 t-80 -79.36 -35.86 40.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.91 -20.33 50.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.71 -59.0 1.86 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.839 0.352 . . . . 0.0 111.0 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.985 HG23 HD12 ' A' ' 65' ' ' LEU . 15.0 p -56.93 -16.13 3.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -179.289 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 t -115.73 -39.89 3.44 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.99 -9.89 29.94 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -123.63 -65.71 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.702 0.287 . . . . 0.0 111.485 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.76 150.09 0.74 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.811 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.68 160.19 48.83 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.792 2.328 . . . . 0.0 112.385 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -49.48 -34.2 16.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.173 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -47.05 84.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.963 0.411 . . . . 0.0 110.68 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.985 HD12 HG23 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -62.92 -34.91 78.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.462 179.613 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -72.39 -32.89 66.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.692 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -55.34 -44.44 75.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -74.05 -28.22 61.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.496 ' CE2' HD23 ' A' ' 49' ' ' LEU . 8.2 t80 -56.56 -50.15 72.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.78 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -76.73 -34.36 58.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -56.56 -62.66 1.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.761 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.4 pp -54.23 -37.17 64.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.81 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.761 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.7 t80 -72.83 -31.32 64.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.81 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.7 m -51.84 -41.11 61.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.04 0.447 . . . . 0.0 110.285 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -77.9 -26.74 49.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.521 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.827 HG23 ' CD1' ' A' ' 43' ' ' LEU . 76.9 m -73.8 -37.95 64.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.022 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -74.15 -25.1 59.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.369 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.12 -31.09 13.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.462 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.526 HG22 ' HA ' ' A' ' 76' ' ' THR . 15.3 t -66.82 -47.64 71.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.737 0.303 . . . . 0.0 111.032 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 1.047 HD13 ' HB2' ' A' ' 44' ' ' ALA . 32.8 mt -61.79 -38.93 89.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.14 -50.23 71.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.1 mtp -57.98 -26.8 62.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.048 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.557 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -80.05 -26.27 39.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.329 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -95.42 39.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.11 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.5 mtt -130.72 -48.08 1.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.708 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -36.65 -56.47 0.82 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.213 -179.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.407 HD13 ' HE1' ' A' ' 103' ' ' HIS . 6.1 mt . . . . . 0 CA--C 1.529 0.152 0 CA-C-O 120.582 0.229 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -61.59 -17.28 53.34 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.58 2.187 . . . . 0.0 112.795 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.41 ' O ' HG22 ' A' ' 106' ' ' VAL . 20.8 p-80 -96.16 -8.8 32.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.625 0.25 . . . . 0.0 111.529 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.26 -29.46 69.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.466 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 8.0 p30 -79.17 -48.75 13.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.225 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 107' ' ' ASP . 30.4 m -56.85 -41.25 75.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.261 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 106' ' ' VAL . 5.0 t0 -66.09 -45.36 81.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.645 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.78 -25.11 64.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.794 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.467 ' CG ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -65.11 -52.55 54.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.595 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.0 mtm-85 -57.62 -30.91 65.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.677 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 t -60.55 -38.68 85.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.691 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.622 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -61.09 -40.93 95.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -60.74 -34.86 60.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 11.9 p -57.12 -52.14 66.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.093 0.473 . . . . 0.0 110.209 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -73.86 -46.2 46.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.737 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.553 ' HZ3' HD22 ' A' ' 49' ' ' LEU . 34.1 m95 -59.63 -54.7 43.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.2 t -53.96 -45.09 71.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.967 0.413 . . . . 0.0 110.592 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -61.24 -37.85 84.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.604 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.3 ttt -65.07 -38.96 92.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.672 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -52.15 -44.07 64.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.833 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -83.07 -34.01 26.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.86 -60.18 2.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.251 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.58 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.2 tp -54.01 -42.89 69.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -63.91 -36.85 85.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.803 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.64 -41.37 62.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.809 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.84 -35.51 77.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.0 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 16.5 ttm -59.96 -50.46 73.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 159.99 41.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.462 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 19.4 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.791 0.329 . . . . 0.0 111.165 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.775 HG23 ' H ' ' A' ' 35' ' ' GLN . 15.3 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.869 0.366 . . . . 0.0 110.664 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.0 p -47.54 -28.89 2.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.446 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.447 ' O ' ' HB3' ' A' ' 38' ' ' SER . 50.2 m -69.21 -38.49 78.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.775 ' H ' HG23 ' A' ' 32' ' ' THR . 37.5 tp60 -70.7 -43.93 68.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.069 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.515 HD11 ' HG2' ' A' ' 86' ' ' GLN . 75.8 mt -52.92 -46.36 68.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.045 0.45 . . . . 0.0 110.371 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.492 ' C ' HD12 ' A' ' 37' ' ' LEU . 2.2 pp -81.3 -15.63 54.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.315 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.447 ' HB3' ' O ' ' A' ' 34' ' ' SER . 25.1 p -73.68 -25.85 60.45 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.735 0.302 . . . . 0.0 110.93 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.691 HG21 HG13 ' A' ' 106' ' ' VAL . 42.0 t -89.17 -37.43 9.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.789 0.328 . . . . 0.0 110.717 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.513 ' HB3' ' HE1' ' A' ' 109' ' ' MET . 0.0 OUTLIER -69.07 -31.27 69.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.01 179.316 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -71.41 -39.76 70.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.126 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.9 -27.51 39.95 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.927 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.84 HD11 HG23 ' A' ' 76' ' ' THR . 2.0 tm? -83.08 -57.58 3.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.011 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.572 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -52.09 -48.26 64.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.341 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -58.21 -49.85 75.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.1 -28.58 68.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.033 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.13 72.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.412 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 162.93 125.15 0.75 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.585 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.587 ' CD1' HG11 ' A' ' 57' ' ' VAL . 23.4 mt -70.83 150.51 95.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.532 0.206 . . . . 0.0 110.713 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -62.31 -78.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.443 2.095 . . . . 0.0 112.513 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -148.64 -68.81 0.22 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.832 0.349 . . . . 0.0 111.499 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.14 -42.93 73.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.332 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.525 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -56.32 -46.61 79.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.975 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.525 ' HA ' HG12 ' A' ' 57' ' ' VAL . 25.1 t-80 -67.01 -45.38 77.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.23 -23.91 9.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.285 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.407 ' HA ' ' HB2' ' A' ' 60' ' ' GLN . 2.4 t80 -90.57 -54.48 3.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.955 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.791 HG23 HD12 ' A' ' 65' ' ' LEU . 10.7 p -68.52 -9.7 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -179.234 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.437 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 16.2 t -120.89 -31.45 4.2 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.23 -9.78 16.01 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.407 ' HB2' ' HA ' ' A' ' 56' ' ' PHE . 65.8 mt-30 -122.34 -66.67 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.738 0.304 . . . . 0.0 111.712 -179.432 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.437 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -41.61 150.01 0.36 Allowed Pre-proline 0 CA--C 1.53 0.185 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.933 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.01 160.25 50.69 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.779 2.319 . . . . 0.0 112.5 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -47.78 -39.93 19.47 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.179 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.4 t -57.14 -44.2 83.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.682 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.791 HD12 HG23 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -66.09 -33.09 75.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.466 179.634 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -74.65 -32.93 62.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.694 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -56.26 -45.36 80.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -72.35 -28.05 62.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -60.19 -55.65 31.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -74.12 -31.1 62.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.007 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -60.0 -56.49 21.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.821 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.4 pp -59.89 -32.62 70.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.941 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.821 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.2 t80 -77.14 -33.8 56.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.842 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.5 -35.26 62.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.027 0.441 . . . . 0.0 110.444 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.568 ' O ' HG23 ' A' ' 79' ' ' THR . 16.4 m80 -83.64 -25.7 30.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.674 179.539 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.84 HG23 HD11 ' A' ' 43' ' ' LEU . 86.7 m -73.81 -40.99 62.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.07 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -38.14 76.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.288 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.16 -25.47 55.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.26 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 75' ' ' HIS . 11.4 p -79.76 -48.02 14.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.238 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.572 HD22 ' HB2' ' A' ' 44' ' ' ALA . 15.6 mt -53.18 -30.78 39.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 110.83 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -61.87 -33.73 74.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.452 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 59.9 mtm -67.28 -31.62 72.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.593 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.638 ' HB2' ' SD ' ' A' ' 109' ' ' MET . . . -71.29 -30.08 65.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.822 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -92.23 44.73 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.483 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 86' ' ' GLN . 2.0 tmt? -130.46 -67.33 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.452 -179.556 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.515 ' HG2' HD11 ' A' ' 36' ' ' LEU . 53.2 tp60 -27.72 -45.39 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.007 0.432 . . . . 0.0 110.867 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.406 ' HB3' ' HD2' ' A' ' 102' ' ' PRO . 20.2 mt . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 120.706 0.289 . . . . 0.0 110.718 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 101' ' ' LEU . 64.8 Cg_endo -73.82 -38.17 2.49 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.568 2.179 . . . . 0.0 113.119 -179.444 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.4 ' HE1' HD13 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -85.7 -8.8 57.97 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.219 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.406 ' CG ' ' HB2' ' A' ' 101' ' ' LEU . 1.3 mm-40 -48.76 -66.42 0.4 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.965 0.412 . . . . 0.0 111.199 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.483 ' OD1' HD22 ' A' ' 36' ' ' LEU . 3.4 p30 -51.43 -47.53 62.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.433 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.691 HG13 HG21 ' A' ' 39' ' ' VAL . 33.9 t -55.58 -69.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.618 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -51.43 -35.61 40.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.268 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -73.41 -36.76 66.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.033 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.638 ' SD ' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -65.64 -57.49 8.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.771 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.603 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -49.68 -32.04 12.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.818 179.778 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -41.66 97.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.484 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.602 ' HB1' ' OG1' ' A' ' 76' ' ' THR . . . -55.97 -39.17 71.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.069 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.603 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.2 OUTLIER -65.19 -29.38 47.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.847 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 89.0 m -59.73 -36.84 77.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.069 0.462 . . . . 0.0 110.096 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -83.71 -42.69 16.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.481 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.412 ' CH2' ' HA2' ' A' ' 48' ' ' GLY . 50.9 m95 -65.54 -51.33 60.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.799 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.5 m -54.0 -46.59 71.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.605 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -60.92 -22.5 64.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.7 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.656 ' HG2' HD22 ' A' ' 123' ' ' LEU . 1.8 ttt -75.47 -54.0 7.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -48.69 -29.65 4.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.141 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.36 -44.63 14.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.902 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.52 -52.76 16.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.038 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.773 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -54.95 -41.76 71.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.816 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -57.78 -47.45 82.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.765 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -70.95 -37.42 72.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.777 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.18 -37.36 80.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 6.1 ttm -58.92 -40.88 85.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 144.62 46.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.442 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 32.3 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 111.112 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.503 HG23 ' HB2' ' A' ' 35' ' ' GLN . 1.7 t . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 120.865 0.364 . . . . 0.0 111.473 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 91.6 p -65.35 -32.18 73.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.658 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.5 -30.95 69.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.363 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.65 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -81.87 -31.92 31.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.554 179.649 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' ' 32' ' ' THR . 2.0 mm? -52.8 -48.47 66.89 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.229 0.538 . . . . 0.0 109.72 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 pp -76.05 -26.64 56.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.014 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.1 t -60.58 -33.52 72.84 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.318 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.81 HG12 ' HG2' ' A' ' 109' ' ' MET . 1.6 t -74.66 -47.77 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.387 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.629 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -60.63 -26.18 66.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.328 179.4 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -70.55 -37.36 74.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.037 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.454 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -71.33 -31.02 66.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.211 -179.7 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 1.03 HD13 HG23 ' A' ' 76' ' ' THR . 0.3 OUTLIER -84.45 -56.27 3.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.773 0.32 . . . . 0.0 110.6 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.53 -30.15 1.37 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.576 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -78.69 -63.16 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.068 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.9 t -59.24 -41.17 88.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.036 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.829 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -64.89 80.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.02 149.29 11.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.523 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.625 HD13 ' HD2' ' A' ' 50' ' ' PRO . 1.7 mm? -105.03 126.93 29.77 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.547 0.213 . . . . 0.0 110.743 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.625 ' HD2' HD13 ' A' ' 49' ' ' LEU . 31.6 Cg_endo -64.03 -85.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.378 2.052 . . . . 0.0 112.43 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.22 -77.08 0.16 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.695 0.283 . . . . 0.0 111.283 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -58.44 -35.97 72.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.214 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.564 ' O ' HG12 ' A' ' 57' ' ' VAL . 80.9 mt-30 -56.34 -30.66 62.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.062 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.515 ' HA ' HG12 ' A' ' 57' ' ' VAL . 28.9 t-80 -89.86 -37.52 14.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -57.2 -21.52 34.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.293 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -96.15 -59.59 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 0.0 111.034 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.993 HG23 HD12 ' A' ' 65' ' ' LEU . 12.8 p -59.86 -13.8 5.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.445 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 31.0 t -118.77 -32.4 4.54 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.4 -9.86 17.3 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -178.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -123.52 -65.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.756 0.313 . . . . 0.0 111.677 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.525 ' HB1' ' CB ' ' A' ' 65' ' ' LEU . . . -41.51 150.33 0.34 Allowed Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.974 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.28 160.41 49.95 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.861 2.374 . . . . 0.0 112.38 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -45.4 -41.16 8.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.277 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -33.03 64.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.045 0.45 . . . . 0.0 110.69 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.993 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -82.96 -31.29 27.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.591 179.71 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -77.19 -51.33 11.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.413 -179.769 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -60.35 -35.26 75.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.651 0.262 . . . . 0.0 110.891 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.403 ' HD3' HD22 ' A' ' 65' ' ' LEU . 1.1 ptt85 -74.08 -30.5 62.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.887 0.375 . . . . 0.0 110.638 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.4 ' HB3' ' O ' ' A' ' 66' ' ' ARG . 7.3 t80 -55.51 -44.95 77.07 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.728 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.54 -25.13 56.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.002 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -59.74 -62.45 1.87 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.896 0.379 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.797 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.4 pp -57.17 -36.68 71.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.797 ' N ' HD12 ' A' ' 72' ' ' LEU . 2.9 t80 -72.83 -34.13 66.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.6 m -53.54 -34.39 58.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.006 0.431 . . . . 0.0 110.23 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -77.7 -31.82 52.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.388 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . 1.03 HG23 HD13 ' A' ' 43' ' ' LEU . 40.5 m -73.22 -37.2 66.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.193 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -74.92 -22.54 58.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.541 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.49 -30.35 12.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.644 0.259 . . . . 0.0 111.424 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.559 HG22 ' HA ' ' A' ' 76' ' ' THR . 15.2 t -67.95 -46.25 71.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 111.087 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' A' ' 40' ' ' ARG . 9.7 mt -56.44 -42.6 78.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -54.61 -51.84 64.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.03 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 56.5 mtm -59.18 -27.86 66.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.966 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.65 -42.78 70.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.975 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.405 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 1.1 t0 -91.34 48.96 1.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.19 -43.51 1.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.285 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -50.48 -27.85 7.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.94 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.405 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 7.4 m80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 111.009 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.434 HD13 ' NE2' ' A' ' 103' ' ' HIS . 1.3 mt . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.632 0.253 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.76 -24.05 22.31 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.64 2.227 . . . . 0.0 112.739 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.434 ' NE2' HD13 ' A' ' 101' ' ' LEU . 6.3 p80 -78.55 -22.09 47.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.389 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -53.82 -54.64 35.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.82 0.343 . . . . 0.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -59.96 -30.06 68.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.803 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.465 ' HA ' HG11 ' A' ' 39' ' ' VAL . 39.0 t -67.28 -57.67 9.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.962 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -58.39 -33.99 70.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.23 -28.41 59.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.81 ' HG2' HG12 ' A' ' 39' ' ' VAL . 4.5 tpp -59.12 -58.19 9.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.008 0.432 . . . . 0.0 110.687 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.531 ' O ' HG23 ' A' ' 114' ' ' THR . 0.0 OUTLIER -64.23 -23.8 67.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.632 179.552 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.1 t -60.69 -40.88 93.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.063 0.459 . . . . 0.0 110.468 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.603 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -66.64 -35.92 81.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.564 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.7 OUTLIER -63.5 -33.8 63.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.563 179.601 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 110' ' ' ARG . 13.8 p -58.84 -51.66 69.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.106 0.479 . . . . 0.0 109.78 179.219 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -70.62 -48.29 55.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.364 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.615 ' CD1' HD13 ' A' ' 72' ' ' LEU . 26.2 m95 -58.64 -57.13 14.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.841 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.9 p -52.96 -45.66 67.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.048 0.451 . . . . 0.0 110.473 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.22 -32.22 72.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.418 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.519 ' SD ' HD21 ' A' ' 72' ' ' LEU . 4.8 ttt -70.85 -38.62 73.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.65 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -52.9 -41.1 64.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.779 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -81.26 -33.95 32.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.998 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.96 -59.33 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.329 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.514 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -51.56 -43.52 62.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 -179.814 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -59.49 -49.61 77.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.841 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.33 -34.99 79.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.37 -42.73 58.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 14.0 ttm -52.88 -31.71 41.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.065 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 135.37 43.52 0.11 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.6 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 23.1 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 111.155 179.901 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.2 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.84 0.352 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.5 m -63.46 -39.23 93.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.497 179.536 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.48 -30.63 71.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.238 179.447 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.403 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -69.52 -39.27 77.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.457 179.571 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.433 HD11 ' O ' ' A' ' 102' ' ' PRO . 3.5 mm? -52.97 -49.99 65.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.053 179.314 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.528 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 3.0 pp -81.15 -16.3 53.36 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.791 179.24 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.403 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 34.8 t -69.41 -27.5 65.33 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.848 0.356 . . . . 0.0 110.687 179.533 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.512 HG12 ' HG2' ' A' ' 109' ' ' MET . 24.5 t -89.18 -35.82 8.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.022 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.541 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -67.36 -25.43 65.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 110.493 179.636 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.415 ' CD2' HH11 ' A' ' 40' ' ' ARG . 14.0 m80 -81.0 -41.39 22.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.643 179.678 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -35.94 66.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.82 ' CD1' HG23 ' A' ' 76' ' ' THR . 0.3 OUTLIER -74.17 -55.72 5.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.836 -179.779 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.449 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -53.36 -34.52 57.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.037 179.81 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -61.91 -42.67 99.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.721 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.8 m -94.2 13.41 23.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.389 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.557 ' HB1' ' HE1' ' A' ' 73' ' ' TYR . . . -108.66 72.75 0.84 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.884 0.373 . . . . 0.0 111.099 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.415 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 162.92 115.37 0.34 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.602 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 53' ' ' GLN . 91.9 mt -64.35 141.03 98.1 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.487 0.184 . . . . 0.0 110.696 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 31.5 Cg_exo -57.5 -76.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.409 2.073 . . . . 0.0 112.677 -179.578 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -148.54 -70.66 0.21 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.861 0.362 . . . . 0.0 111.431 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.96 -38.86 73.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.186 -179.541 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.661 ' HB3' HD22 ' A' ' 49' ' ' LEU . 12.4 mt-30 -55.75 -44.27 77.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.007 -179.844 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.553 ' HA ' HG12 ' A' ' 57' ' ' VAL . 26.1 t-80 -71.41 -47.02 58.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.202 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.27 -23.54 9.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.518 -179.734 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.432 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 3.0 t80 -90.74 -53.29 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 0.0 111.069 -179.771 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.934 HG23 HD12 ' A' ' 65' ' ' LEU . 12.5 p -67.03 -9.77 10.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -179.175 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 m -122.49 -35.81 3.03 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.103 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.3 -9.79 21.96 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -178.899 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -124.02 -67.75 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.723 0.297 . . . . 0.0 111.75 -179.369 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.515 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -40.47 150.02 0.29 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.058 -179.331 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.91 160.34 46.19 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.834 2.356 . . . . 0.0 112.392 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -47.25 -32.59 4.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.0 t -61.06 -46.97 88.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.684 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.934 HD12 HG23 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -66.75 -31.94 72.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.596 179.772 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -72.01 -32.98 67.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.717 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -58.77 -50.06 75.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -66.62 -31.13 71.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.722 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -60.0 -52.93 63.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.775 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -71.11 -30.01 65.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.31 -61.75 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.697 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.2 pp -55.72 -36.23 66.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.697 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.1 t80 -78.46 -27.83 46.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.898 179.903 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -42.84 65.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.943 0.401 . . . . 0.0 110.564 179.707 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.604 ' O ' HG23 ' A' ' 79' ' ' THR . 32.0 m80 -76.96 -35.76 57.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.5 179.589 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.82 HG23 ' CD1' ' A' ' 43' ' ' LEU . 86.2 m -58.33 -44.16 88.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.058 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -63.82 -53.66 47.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.375 -179.713 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.61 -32.44 74.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.502 -179.505 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 75' ' ' HIS . 11.0 p -64.67 -52.71 55.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 110.979 -179.885 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.541 HD23 ' HA ' ' A' ' 40' ' ' ARG . 71.3 mt -54.6 -34.26 61.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.791 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -71.01 -35.71 72.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.641 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 39.3 mtp -73.67 -29.24 62.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.781 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.508 ' CB ' ' HE3' ' A' ' 109' ' ' MET . . . -85.63 -27.8 25.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -94.22 22.48 5.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.6 tpp -130.4 -30.77 1.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.728 -179.618 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -43.83 -29.12 0.5 Allowed 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.403 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.946 0.403 . . . . 0.0 110.458 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.7 HD13 ' CE1' ' A' ' 103' ' ' HIS . 0.9 OUTLIER . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.639 0.257 . . . . 0.0 110.982 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.433 ' O ' HD11 ' A' ' 36' ' ' LEU . 69.2 Cg_exo -51.55 -23.1 13.96 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.684 2.256 . . . . 0.0 112.81 -179.781 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.7 ' CE1' HD13 ' A' ' 101' ' ' LEU . 10.4 p80 -87.26 -23.0 24.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.39 -179.587 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -51.34 -41.39 60.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.945 0.403 . . . . 0.0 110.844 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.479 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 4.3 p30 -73.57 -41.31 63.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.791 179.893 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.47 HG13 HG21 ' A' ' 39' ' ' VAL . 32.2 t -56.75 -67.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.569 -179.811 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -49.67 -45.1 48.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.477 -179.543 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.2 -29.01 68.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.233 -179.726 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.512 ' HG2' HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -64.1 -63.4 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.925 -179.932 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.484 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -48.37 -29.73 4.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.803 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.58 -36.38 83.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.376 179.525 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.572 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -61.39 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.796 179.698 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.484 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.2 OUTLIER -62.62 -30.3 48.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.733 179.865 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 87.0 m -60.05 -35.67 75.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.014 0.435 . . . . 0.0 110.259 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -86.62 -43.01 12.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.471 179.461 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.513 ' CD1' HD13 ' A' ' 72' ' ' LEU . 47.9 m95 -64.51 -50.91 65.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.449 179.618 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.0 t -56.76 -50.42 72.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.219 179.38 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -60.19 -33.56 72.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.382 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.407 ' O ' ' N ' ' A' ' 123' ' ' LEU . 2.8 ttt -68.77 -38.53 80.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.558 179.704 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 16.6 ttm-85 -52.05 -42.73 63.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.694 179.739 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -81.72 -38.46 25.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.091 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.88 -59.9 2.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.27 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.72 HD21 ' HB ' ' A' ' 57' ' ' VAL . 2.9 tp -51.32 -44.15 61.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.078 -179.91 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.98 -41.32 78.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -70.49 -51.6 27.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.13 -33.91 71.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.178 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 14.2 ttm -59.44 -42.97 93.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 139.66 42.97 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.532 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 18.6 mt . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 111.035 179.97 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.617 HG23 ' HB2' ' A' ' 35' ' ' GLN . 1.2 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.785 0.326 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.58 -37.5 68.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.51 -38.77 88.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.617 ' HB2' HG23 ' A' ' 32' ' ' THR . 1.6 tm0? -66.45 -42.71 87.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.746 179.877 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 36' ' ' LEU . 3.8 mm? -52.93 -49.64 65.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.032 0.444 . . . . 0.0 109.992 179.333 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.477 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 2.0 pp -81.52 -17.69 47.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.109 179.416 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.409 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 40.9 t -66.34 -30.78 71.26 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.78 0.324 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.511 HG23 ' CE ' ' A' ' 109' ' ' MET . 2.7 m -89.64 -36.5 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.286 -179.9 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.685 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -66.59 -25.69 66.74 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.422 179.929 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -85.17 -34.18 22.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.443 179.455 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -37.2 29.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.197 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.916 HD13 HG23 ' A' ' 76' ' ' THR . 0.2 OUTLIER -73.86 -50.64 19.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.007 -179.622 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.431 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -52.97 -47.2 68.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.138 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.03 -49.27 77.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -70.02 -29.09 66.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.74 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -69.95 69.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 173.65 132.54 1.55 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.533 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 53' ' ' GLN . 30.1 mt -74.25 151.0 87.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -61.28 -83.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.555 2.17 . . . . 0.0 112.462 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.22 -67.69 0.24 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.781 0.324 . . . . 0.0 111.283 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -67.21 -30.54 70.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.235 -179.588 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.586 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -54.56 -40.31 68.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.178 -179.848 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.453 ' HA ' HG12 ' A' ' 57' ' ' VAL . 27.8 t-80 -73.92 -37.53 64.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -58.55 -19.9 41.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.727 -179.52 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.427 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 2.6 t80 -97.59 -59.33 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 111.146 -179.533 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.728 ' HB ' HD21 ' A' ' 123' ' ' LEU . 12.8 p -57.91 -15.8 5.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.155 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -116.33 -37.2 3.82 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.18 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.8 -9.78 23.92 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.938 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -125.52 -67.17 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.315 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.416 ' CB ' ' HA ' ' A' ' 57' ' ' VAL . . . -40.59 150.16 0.29 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.133 -179.289 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.29 160.29 42.38 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.796 2.331 . . . . 0.0 112.519 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -48.21 -32.85 7.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.189 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.8 p -57.5 -46.81 83.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.004 0.43 . . . . 0.0 110.752 179.824 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.612 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -75.06 -28.66 60.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.772 179.79 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -73.15 -50.65 21.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.655 -179.507 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 68' ' ' ARG . 31.7 p30 -58.25 -34.35 70.36 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.265 -179.432 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.493 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -74.45 -31.27 62.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.961 0.41 . . . . 0.0 110.526 179.462 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -59.41 -45.34 91.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.729 179.743 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -74.85 -29.02 60.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -59.41 -60.07 4.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.797 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -56.96 -38.49 73.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.797 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.1 t80 -72.83 -29.8 63.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.74 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.2 t -54.29 -39.34 66.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.032 0.444 . . . . 0.0 110.383 179.608 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -78.98 -26.6 43.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.644 179.446 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.916 HG23 HD13 ' A' ' 43' ' ' LEU . 90.3 m -70.8 -33.26 70.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -76.0 -34.73 59.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.351 -179.674 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -30.52 25.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.451 -179.599 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.473 HG22 ' HA ' ' A' ' 76' ' ' THR . 12.8 t -69.6 -42.13 74.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 110.92 -179.852 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.685 HD23 ' HA ' ' A' ' 40' ' ' ARG . 46.9 mt -57.37 -45.45 84.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.64 -49.46 77.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.744 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.6 mtm -56.8 -24.42 50.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.121 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.478 ' HB2' ' CE ' ' A' ' 109' ' ' MET . . . -76.74 -43.93 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.191 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.458 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 1.2 t0 -86.33 46.34 1.33 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -130.49 -46.57 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.984 0.421 . . . . 0.0 111.005 179.839 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -24.91 7.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.766 -179.631 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.458 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 18.1 m80 . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 120.899 0.38 . . . . 0.0 111.01 -179.78 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.488 HD13 ' NE2' ' A' ' 103' ' ' HIS . 2.3 mt . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 120.69 0.281 . . . . 0.0 110.67 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.2 -8.9 24.74 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.581 2.187 . . . . 0.0 112.896 -179.711 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.488 ' NE2' HD13 ' A' ' 101' ' ' LEU . 14.4 p80 -108.22 -9.09 15.58 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.813 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -54.47 -55.55 27.81 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.934 0.397 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -58.69 -46.98 86.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.694 179.824 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.44 HG13 HG11 ' A' ' 39' ' ' VAL . 21.7 t -57.68 -56.65 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.279 179.823 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -58.72 -44.42 90.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.42 -26.09 66.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.511 ' CE ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -67.92 -60.69 2.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.925 -179.87 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.464 ' O ' HG22 ' A' ' 113' ' ' ILE . 2.7 ptp180 -50.77 -27.33 7.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.741 179.85 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.8 t -67.18 -36.59 82.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.433 179.459 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.603 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -62.02 -44.99 95.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.827 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -63.25 -29.05 46.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.848 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 85.1 m -60.5 -36.59 78.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.999 0.428 . . . . 0.0 110.361 179.684 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.566 ' HB3' HD22 ' A' ' 72' ' ' LEU . 1.4 t0 -86.91 -42.25 13.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.54 179.595 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.462 ' CD1' HD13 ' A' ' 72' ' ' LEU . 59.3 m95 -65.47 -49.58 68.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.473 179.71 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.1 t -58.78 -51.24 70.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.288 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -58.58 -33.03 69.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.331 179.466 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.479 ' HG2' HD22 ' A' ' 123' ' ' LEU . 2.8 ttt -67.29 -42.02 84.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.627 179.675 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -50.27 -41.12 49.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.782 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -82.21 -37.17 26.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.022 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.21 -58.93 3.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.234 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.728 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -51.95 -45.47 64.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.014 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -60.34 -42.66 96.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -67.82 -46.86 70.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.808 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.12 99.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.427 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 11.0 ttm -57.48 -30.22 64.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 129.87 42.52 0.22 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.694 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 24.2 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 111.15 179.832 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.425 ' O ' HD23 ' A' ' 36' ' ' LEU . 10.9 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.844 0.354 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.98 -39.78 90.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.706 179.805 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 m -67.43 -32.08 72.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.353 179.589 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.49 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 5.5 tp-100 -68.93 -40.37 79.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.435 179.599 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 36' ' ' LEU . 3.4 mm? -52.95 -49.5 65.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.152 179.379 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.466 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 2.9 pp -81.24 -17.38 49.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.118 179.748 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.49 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 18.9 m -69.39 -28.08 65.85 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.871 0.367 . . . . 0.0 110.678 179.725 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.598 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . 19.9 t -87.37 -39.55 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.466 ' CG ' ' HA ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -67.51 -23.49 65.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.513 179.519 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -80.04 -37.66 33.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.914 179.41 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.598 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 5.8 pt20 -80.23 -36.58 34.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.753 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.779 ' CD1' HG23 ' A' ' 76' ' ' THR . 1.2 tm? -74.1 -58.41 3.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.176 -179.509 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.591 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -50.09 -48.64 53.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.606 -179.776 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -58.08 -50.64 72.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.144 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -28.04 66.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.23 -179.708 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.487 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -67.79 73.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.33 -179.849 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.41 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 162.9 139.94 2.75 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.696 179.889 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.556 ' CD1' HG11 ' A' ' 57' ' ' VAL . 55.4 mt -85.1 146.58 45.73 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.605 0.241 . . . . 0.0 110.702 179.724 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -61.63 -81.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.406 2.07 . . . . 0.0 112.273 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.25 -67.61 0.24 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.834 0.349 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.91 -37.44 74.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 -179.821 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.509 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -57.38 -44.45 84.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.968 -179.892 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.525 ' HA ' HG12 ' A' ' 57' ' ' VAL . 23.1 t-80 -67.87 -43.27 79.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -53.31 -23.29 8.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.584 -179.667 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.439 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 2.0 t80 -92.1 -52.77 4.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 111.097 -179.683 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.123 HG23 HD12 ' A' ' 65' ' ' LEU . 9.6 p -68.38 -9.7 11.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -179.089 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.44 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 2.0 m -122.11 -28.77 4.33 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.094 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.19 -9.85 17.47 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -178.955 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -128.86 -60.81 1.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.765 -179.384 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.406 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -42.16 149.85 0.42 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.988 -179.325 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.17 160.32 50.0 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.753 2.302 . . . . 0.0 112.412 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -47.36 -41.39 19.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.284 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.0 -34.07 63.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.752 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 1.123 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -80.95 -29.49 35.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.886 179.829 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -77.08 -53.21 8.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.51 -179.696 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -58.47 -34.68 71.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.657 0.265 . . . . 0.0 111.022 -179.648 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.682 ' HD3' HD22 ' A' ' 65' ' ' LEU . 1.3 ptm180 -74.07 -30.32 62.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.967 0.413 . . . . 0.0 110.44 179.474 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -56.03 -58.43 7.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.961 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -67.96 -26.44 65.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.48 -62.24 2.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.884 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.0 pp -57.38 -31.45 65.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.884 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.8 t80 -75.56 -31.37 60.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.805 179.923 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.47 -40.88 72.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.004 0.43 . . . . 0.0 110.38 179.58 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.439 ' CE1' ' NH2' ' A' ' 78' ' ' ARG . 2.0 t60 -79.12 -23.1 44.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.655 179.426 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.779 HG23 ' CD1' ' A' ' 43' ' ' LEU . 39.2 m -78.1 -33.82 50.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -77.0 -26.52 53.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.13 -179.767 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.439 ' NH2' ' CE1' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -90.64 -28.79 18.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.39 -179.72 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 76' ' ' THR . 12.6 t -73.1 -46.91 48.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.312 . . . . 0.0 110.967 -179.882 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.612 HD21 ' HB3' ' A' ' 43' ' ' LEU . 17.8 mt -55.92 -31.55 63.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.7 -53.55 57.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.998 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 69.9 mtm -54.67 -41.99 70.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.529 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . . . -58.32 -63.15 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.023 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.454 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 7.2 t70 -87.37 62.08 6.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.8 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.6 tpt -126.1 -55.58 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 87' ' ' HIS . 36.2 tt0 -67.45 -86.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.033 -179.855 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.454 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 40.4 m80 . . . . . 0 N--CA 1.469 0.507 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 CA--C 1.528 0.116 0 CA-C-O 120.678 0.275 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.413 ' O ' HD11 ' A' ' 36' ' ' LEU . 41.4 Cg_exo -56.9 -23.53 51.63 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.66 2.24 . . . . 0.0 112.804 -179.743 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.527 ' HA ' HG22 ' A' ' 106' ' ' VAL . 6.3 p80 -80.5 -8.97 59.77 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.485 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -71.61 -33.69 69.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.914 0.388 . . . . 0.0 110.78 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.529 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 8.0 p30 -79.21 -46.15 18.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.229 -179.903 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.527 HG22 ' HA ' ' A' ' 103' ' ' HIS . 16.5 m -58.1 -46.32 88.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.429 -179.515 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.508 ' N ' HG23 ' A' ' 106' ' ' VAL . 0.3 OUTLIER -61.62 -42.33 98.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.767 -179.883 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -74.39 -29.29 61.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -56.51 7.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.64 179.834 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.521 ' O ' HG22 ' A' ' 113' ' ' ILE . 2.3 ptm180 -52.97 -31.04 38.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.674 179.737 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.7 m -64.85 -35.53 81.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.47 179.464 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.641 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -62.38 -45.59 92.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.711 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.7 OUTLIER -62.27 -28.4 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 179.842 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 88.9 m -60.95 -36.53 79.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.948 0.404 . . . . 0.0 110.165 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.428 ' HB3' HD22 ' A' ' 72' ' ' LEU . 2.0 t0 -85.23 -43.39 13.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.422 179.497 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.41 ' CH2' ' HA2' ' A' ' 48' ' ' GLY . 71.1 m95 -64.96 -50.7 65.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.507 179.564 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.9 t -57.24 -50.89 71.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.296 179.495 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.34 -30.89 65.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.201 179.195 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.1 ttt -70.5 -38.88 74.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.473 179.518 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.2 -41.17 60.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.688 179.683 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -82.99 -41.14 19.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.926 179.788 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.82 -59.2 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.612 HD21 ' HB ' ' A' ' 57' ' ' VAL . 3.0 tp -52.35 -45.46 65.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -60.9 -47.98 83.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -62.96 -42.22 99.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.76 -37.54 79.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.157 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.439 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 8.0 ttm -59.56 -35.07 73.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 138.71 42.79 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.688 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.77 0.319 . . . . 0.0 111.073 179.93 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.644 HG23 ' H ' ' A' ' 35' ' ' GLN . 12.7 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.857 0.36 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.18 -36.73 85.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.569 179.713 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.3 m -64.68 -31.59 72.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.417 179.671 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.644 ' H ' HG23 ' A' ' 32' ' ' THR . 49.9 tp60 -75.06 -38.04 61.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.521 179.619 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.562 HD23 ' O ' ' A' ' 32' ' ' THR . 3.8 mm? -52.95 -48.17 67.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.057 0.456 . . . . 0.0 110.051 179.35 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 2.7 pp -81.02 -18.86 45.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.706 179.27 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.2 t -66.82 -27.28 67.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.871 0.367 . . . . 0.0 110.577 179.571 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 35' ' ' GLN . 21.3 t -88.74 -40.39 13.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.854 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.483 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -65.36 -27.81 68.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.364 179.631 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -76.62 -41.19 46.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.412 179.538 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -77.4 -29.89 53.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.828 ' CD1' HG23 ' A' ' 76' ' ' THR . 1.4 tm? -80.68 -57.46 3.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.043 -179.831 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.586 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -51.1 -50.36 58.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.465 -179.893 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -56.42 -47.86 78.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.01 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 t -67.64 -26.52 66.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.564 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -85.44 79.6 9.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.454 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 170.84 133.33 1.6 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.591 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.861 HD12 ' HB3' ' A' ' 53' ' ' GLN . 3.0 mm? -85.73 129.7 53.68 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.472 0.177 . . . . 0.0 110.684 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.81 -75.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.308 2.005 . . . . 0.0 112.476 -179.762 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.57 -80.73 0.13 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.802 0.334 . . . . 0.0 111.476 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -54.95 -40.98 70.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.513 -179.447 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.861 ' HB3' HD12 ' A' ' 49' ' ' LEU . 2.0 mt-30 -52.82 -30.29 32.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.137 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.663 ' HA ' HG12 ' A' ' 57' ' ' VAL . 29.1 t-80 -90.01 -34.47 15.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.002 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.89 -18.05 58.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.488 -179.74 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.507 ' HZ ' ' HB3' ' A' ' 126' ' ' ALA . 0.0 OUTLIER -100.05 -47.45 4.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 111.103 -179.74 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.989 HG23 HD12 ' A' ' 65' ' ' LEU . 14.6 p -66.56 -10.12 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.256 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.1 t -122.73 -43.06 2.28 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -179.576 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.86 -10.01 56.05 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.148 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -127.84 -58.74 1.22 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.783 0.325 . . . . 0.0 111.474 -179.735 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.432 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -46.48 149.87 1.3 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.692 -179.597 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -74.02 160.24 43.25 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.752 2.301 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.401 ' HG2' ' N ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -47.39 -29.44 2.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.215 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.401 ' N ' ' HG2' ' A' ' 63' ' ' GLN . 21.4 m -62.76 -42.77 99.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.693 179.792 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.989 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -71.21 -32.21 68.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.664 179.782 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -76.03 -32.92 59.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 179.892 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -59.13 -47.04 86.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.761 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -71.01 -27.83 63.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.406 ' OH ' HD23 ' A' ' 49' ' ' LEU . 13.4 t80 -57.67 -63.34 1.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -67.84 -29.4 68.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 -179.803 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -62.05 -63.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.07 -179.882 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.741 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.3 pp -58.92 -40.63 85.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.055 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.741 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.3 t80 -71.3 -30.31 66.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.074 -179.888 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.57 -42.5 71.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.942 0.401 . . . . 0.0 110.62 179.793 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -78.0 -23.2 48.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.822 179.603 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.828 HG23 ' CD1' ' A' ' 43' ' ' LEU . 89.6 m -78.3 -31.78 49.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -77.08 -27.96 54.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 -179.721 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.43 -33.22 16.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.287 -179.723 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.514 HG22 ' HA ' ' A' ' 76' ' ' THR . 15.2 t -67.1 -45.15 78.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.086 -179.75 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.602 HD21 ' HB3' ' A' ' 43' ' ' LEU . 21.2 mt -56.87 -37.91 71.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 -179.856 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -57.96 -41.2 82.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.053 -179.888 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 77.4 mtm -61.06 -26.61 67.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.033 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.07 -26.17 60.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.411 -179.829 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.06 39.2 1.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.103 -179.843 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.2 mtm -130.57 -47.34 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.428 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.18 -68.67 0.18 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.114 -179.27 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.321 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.281 -179.489 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.569 0.223 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.489 ' O ' HD11 ' A' ' 36' ' ' LEU . 50.6 Cg_exo -53.71 -18.97 13.27 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.632 2.222 . . . . 0.0 113.067 -179.481 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.619 ' HA ' HG22 ' A' ' 106' ' ' VAL . 2.8 p80 -87.7 -8.67 55.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.621 0.248 . . . . 0.0 111.517 -179.728 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.65 -35.67 79.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.84 0.352 . . . . 0.0 110.8 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.41 ' OD1' HG13 ' A' ' 106' ' ' VAL . 4.5 p30 -78.47 -49.28 13.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.619 HG22 ' HA ' ' A' ' 103' ' ' HIS . 19.8 m -56.1 -41.58 69.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.908 0.385 . . . . 0.0 111.117 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.442 ' N ' HG23 ' A' ' 106' ' ' VAL . 30.3 t0 -61.18 -46.66 89.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -72.23 -28.58 63.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.798 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.414 ' HE3' ' HB3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -65.38 -65.38 0.68 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.715 179.868 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.45 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -47.98 -31.55 5.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 179.857 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.5 m -60.53 -38.62 85.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.381 179.477 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.636 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -58.76 -39.92 82.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.901 179.672 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.45 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.8 OUTLIER -61.33 -32.96 54.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.986 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 12.3 p -57.98 -52.31 66.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.048 0.451 . . . . 0.0 110.03 179.516 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -72.4 -46.44 55.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.422 179.316 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.454 ' CH2' ' N ' ' A' ' 48' ' ' GLY . 34.0 m95 -58.93 -54.8 43.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.933 179.838 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.1 t -51.01 -42.99 60.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.004 0.43 . . . . 0.0 110.602 179.775 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -63.43 -35.76 81.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.511 179.653 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.2 ttt -74.75 -33.68 62.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.763 179.833 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -53.02 -42.81 66.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -81.27 -33.94 32.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.8 -59.74 2.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.296 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.97 -46.62 61.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.52 ' O ' HD12 ' A' ' 129' ' ' ILE . 5.6 mt-30 -58.87 -39.82 82.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -70.92 -54.59 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.202 -179.734 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.507 ' HB3' ' HZ ' ' A' ' 56' ' ' PHE . . . -58.17 -39.0 77.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.333 -179.724 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 7.7 ttm -56.54 -45.3 81.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 145.49 40.01 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.6 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.52 HD12 ' O ' ' A' ' 124' ' ' GLN . 6.7 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.2 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.749 0.309 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.5 p -53.53 -35.71 60.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.821 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -72.43 -27.86 62.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.809 179.778 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.458 ' HA ' ' HB3' ' A' ' 38' ' ' SER . 64.7 tp60 -69.7 -48.24 60.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.513 HD13 ' HB2' ' A' ' 86' ' ' GLN . 88.5 mt -52.92 -45.67 67.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.256 179.562 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 pp -81.24 -23.84 37.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.634 179.125 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.458 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 13.2 t -61.08 -34.35 74.77 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.909 0.385 . . . . 0.0 110.685 179.762 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.677 HG23 ' CE ' ' A' ' 109' ' ' MET . 3.1 m -83.36 -36.57 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.184 -179.902 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.595 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -64.66 -26.8 68.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.904 0.383 . . . . 0.0 110.082 179.511 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -81.99 -37.03 27.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.643 179.549 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -80.36 -36.44 34.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.25 -179.807 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.794 ' CD1' HG23 ' A' ' 76' ' ' THR . 0.1 OUTLIER -73.88 -63.67 1.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.734 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.508 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -47.54 -45.18 26.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.548 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -57.27 -52.72 64.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.577 ' CB ' HD11 ' A' ' 113' ' ' ILE . 46.5 m -65.4 -31.54 72.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 48' ' ' GLY . . . -71.16 -165.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.462 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 34.02 100.84 0.01 OUTLIER Glycine 0 C--N 1.333 0.395 0 CA-C-N 115.845 -0.616 . . . . 0.0 114.0 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.635 ' CD1' HG11 ' A' ' 57' ' ' VAL . 34.1 mt -48.96 153.39 1.53 Allowed Pre-proline 0 C--N 1.331 -0.211 0 CA-C-O 120.744 0.307 . . . . 0.0 111.112 179.786 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -61.91 -80.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.526 2.151 . . . . 0.0 112.406 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.17 -69.15 0.23 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.857 0.36 . . . . 0.0 111.177 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -55.63 -39.35 70.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 -179.73 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.501 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -55.37 -42.41 73.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.066 -179.849 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.531 ' HA ' HG12 ' A' ' 57' ' ' VAL . 23.5 t-80 -68.06 -41.11 82.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.955 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.93 -21.03 26.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.468 -179.682 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.416 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 4.0 t80 -95.91 -51.96 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.222 -179.635 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.924 HG23 HD12 ' A' ' 65' ' ' LEU . 11.3 p -67.51 -9.8 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.053 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.09 -31.28 3.37 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -179.097 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.69 -9.79 21.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.796 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -131.67 -62.34 0.87 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.342 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.514 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -37.41 151.73 0.13 Allowed Pre-proline 0 N--CA 1.464 0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.234 -179.307 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.18 160.26 49.59 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.938 2.425 . . . . 0.0 112.571 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.2 -46.33 23.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.353 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.97 -31.9 61.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.954 0.407 . . . . 0.0 110.797 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.924 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -83.3 -31.66 26.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.732 179.779 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.18 -52.97 8.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.403 -179.804 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -57.96 -39.97 79.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.296 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.426 HH21 ' HE3' ' A' ' 119' ' ' MET . 13.3 ptt180 -69.74 -29.7 67.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.87 0.367 . . . . 0.0 110.816 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.428 ' CE1' HD11 ' A' ' 49' ' ' LEU . 86.6 t80 -58.06 -68.73 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.064 -179.884 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -56.99 -25.03 57.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.216 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.66 -64.08 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.255 -179.784 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.886 HD12 ' N ' ' A' ' 73' ' ' TYR . 3.4 pp -54.75 -28.43 48.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.325 -179.655 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.886 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.7 t80 -83.15 -34.66 25.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.926 179.814 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.82 -44.38 28.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.013 0.435 . . . . 0.0 110.582 179.732 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.827 ' O ' HG23 ' A' ' 79' ' ' THR . 0.1 OUTLIER -75.61 -39.04 58.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.194 179.305 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.794 HG23 ' CD1' ' A' ' 43' ' ' LEU . 99.1 m -59.52 -50.05 75.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.948 179.73 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.437 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 2.2 mt-30 -59.49 -32.38 70.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.002 -179.702 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.4 ' HB2' ' NH1' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -84.05 -36.32 23.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.011 -179.808 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.827 HG23 ' O ' ' A' ' 75' ' ' HIS . 40.5 p -60.84 -47.51 86.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.154 -179.737 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.611 HD21 ' HB3' ' A' ' 43' ' ' LEU . 3.9 mt -56.75 -31.61 64.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.372 . . . . 0.0 110.499 179.83 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.415 ' O ' ' HG3' ' A' ' 85' ' ' MET . 0.3 OUTLIER -57.79 -60.27 3.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.385 179.573 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 59.1 mtm -53.93 -24.18 15.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.811 179.346 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.595 ' HB2' ' HE1' ' A' ' 109' ' ' MET . . . -69.92 -45.43 67.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.331 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.431 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 2.8 t0 -94.67 53.92 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.597 -179.52 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.415 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 39.8 mtt -130.18 -47.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.013 0.435 . . . . 0.0 110.767 179.505 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.513 ' HB2' HD13 ' A' ' 36' ' ' LEU . 11.6 tp60 -48.51 -29.91 4.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.262 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.431 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 7.2 m80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.652 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 3.4 mt . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 120.5 0.19 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 101' ' ' LEU . 33.2 Cg_exo -57.89 -19.84 41.47 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.381 2.054 . . . . 0.0 112.52 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.485 ' HA ' HG22 ' A' ' 106' ' ' VAL . 12.1 p80 -100.88 -8.79 22.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.621 -179.722 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.51 -32.68 3.51 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.875 0.369 . . . . 0.0 111.207 -179.844 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.484 ' OD1' HG13 ' A' ' 106' ' ' VAL . 2.6 p30 -79.21 -58.99 2.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.38 -179.716 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.579 HG12 HG21 ' A' ' 39' ' ' VAL . 35.8 m -55.25 -48.41 76.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.484 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.52 ' N ' HG23 ' A' ' 106' ' ' VAL . 6.3 t0 -61.54 -57.18 13.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.969 0.414 . . . . 0.0 110.78 -179.826 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -60.87 -19.48 60.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.006 179.797 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.677 ' CE ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -67.88 -59.52 3.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.867 0.365 . . . . 0.0 110.696 179.842 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.586 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -51.82 -27.12 11.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.714 179.939 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.1 t -67.04 -39.64 86.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.396 179.52 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.615 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -61.42 -44.58 96.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.978 179.801 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.586 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.6 OUTLIER -62.75 -27.96 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.898 179.91 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 75.8 m -60.51 -40.39 91.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.008 0.432 . . . . 0.0 110.135 179.553 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.426 ' HB3' HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -83.75 -41.31 17.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.737 179.51 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.514 ' NE1' HD13 ' A' ' 72' ' ' LEU . 51.3 m95 -67.9 -43.44 79.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 113' ' ' ILE . 72.9 m -57.76 -48.94 78.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.043 0.449 . . . . 0.0 110.068 179.316 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -59.02 -32.57 69.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.155 179.191 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.426 ' HE3' HH21 ' A' ' 68' ' ' ARG . 1.7 ttt -71.32 -36.56 71.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.591 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -48.74 60.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.794 179.764 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -83.51 -42.26 17.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.057 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.65 -59.92 4.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.292 -179.801 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.818 HD21 ' HB ' ' A' ' 57' ' ' VAL . 4.9 tp -55.45 -42.71 74.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.211 -179.835 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -58.74 -50.6 73.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.361 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -61.82 -45.25 94.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.54 -34.94 78.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 25.0 ttm -57.53 -30.52 65.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 128.87 35.63 0.47 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.621 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 23.3 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 111.052 179.946 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.683 HG23 ' H ' ' A' ' 35' ' ' GLN . 12.4 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.854 0.359 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.5 p -72.38 -35.7 68.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.656 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.9 m -65.93 -31.42 72.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.69 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.683 ' H ' HG23 ' A' ' 32' ' ' THR . 10.0 tp-100 -79.29 -36.11 40.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.662 179.867 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 102' ' ' PRO . 1.9 mm? -53.93 -46.47 71.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.986 0.422 . . . . 0.0 110.211 179.532 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.515 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 3.4 pp -78.61 -18.35 54.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.643 179.237 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -70.19 -28.41 65.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.801 0.334 . . . . 0.0 110.719 179.758 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.632 HG13 ' CE ' ' A' ' 109' ' ' MET . 9.9 p -88.15 -29.97 5.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.173 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -75.26 -26.71 59.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 110.253 179.556 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -78.13 -35.74 48.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.94 179.088 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -77.67 -34.59 52.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.714 179.601 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.764 ' CD1' HG23 ' A' ' 76' ' ' THR . 1.1 tm? -78.8 -54.12 6.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.817 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.5 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -54.21 -45.38 72.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.262 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -57.54 -55.45 34.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 m -60.58 -29.24 69.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.783 179.799 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.437 ' HA ' ' CE2' ' A' ' 116' ' ' TRP . . . -77.21 68.18 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.46 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . -176.75 128.19 1.31 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.428 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.718 HD12 ' HB3' ' A' ' 53' ' ' GLN . 2.9 mm? -79.86 137.7 54.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.57 0.224 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.58 -78.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.495 2.13 . . . . 0.0 112.338 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.17 -70.41 0.22 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.856 0.36 . . . . 0.0 111.18 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -61.66 -31.26 71.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.244 -179.726 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.718 ' HB3' HD12 ' A' ' 49' ' ' LEU . 6.0 mt-30 -57.6 -36.2 71.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.019 -179.877 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.598 ' HA ' HG12 ' A' ' 57' ' ' VAL . 27.4 t-80 -83.88 -38.71 20.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -19.18 50.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.388 -179.843 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.428 ' CE2' ' HG ' ' A' ' 123' ' ' LEU . 0.8 OUTLIER -98.0 -49.89 4.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.753 0.311 . . . . 0.0 111.022 -179.756 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.009 HG23 HD12 ' A' ' 65' ' ' LEU . 13.5 p -69.37 -9.85 12.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.133 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 t -123.02 -35.48 3.0 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -179.196 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.44 -9.84 31.53 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.881 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -130.36 -59.91 1.02 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.769 0.319 . . . . 0.0 111.798 -179.494 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.49 149.97 0.55 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.903 -179.402 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.15 160.24 49.69 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.796 2.331 . . . . 0.0 112.351 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 -50.64 -29.38 10.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.08 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -44.3 97.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.6 179.795 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 1.009 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -69.59 -32.14 70.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.581 179.816 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -74.97 -32.91 61.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.67 179.749 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -58.45 -45.44 88.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.725 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -74.09 -27.36 60.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.831 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.451 ' OH ' HD23 ' A' ' 49' ' ' LEU . 13.4 t80 -55.95 -54.95 38.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.958 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -75.12 -31.94 61.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.9 -59.22 5.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.992 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.1 pp -57.1 -34.42 68.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.603 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.2 t80 -79.19 -27.63 42.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.981 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.01 -47.61 71.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.959 0.409 . . . . 0.0 110.793 179.823 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -74.79 -31.93 61.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.538 179.579 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.764 HG23 ' CD1' ' A' ' 43' ' ' LEU . 53.0 m -63.15 -46.41 87.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 78' ' ' ARG . 1.2 pt20 -63.84 -31.64 72.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.961 -179.876 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.423 ' N ' ' HG3' ' A' ' 77' ' ' GLN . 0.1 OUTLIER -79.86 -51.38 9.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.509 179.837 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.9 p -52.93 -33.18 49.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.5 HD13 ' HB2' ' A' ' 44' ' ' ALA . 43.3 mt -72.08 -30.54 65.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.602 179.654 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.32 -50.6 67.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.624 179.799 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.438 ' HB2' ' HB3' ' A' ' 105' ' ' ASN . 15.5 mtp -55.87 -29.41 59.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.658 179.677 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.411 ' CB ' ' HB3' ' A' ' 40' ' ' ARG . . . -60.53 -44.31 96.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.416 179.373 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.498 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -88.96 48.83 1.68 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.544 179.439 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -130.28 -40.22 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.156 -179.68 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.449 ' HG3' ' HG3' ' A' ' 102' ' ' PRO . 0.9 OUTLIER -60.59 -23.86 65.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.504 -179.765 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.498 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 21.7 m80 . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.807 0.337 . . . . 0.0 111.451 -179.543 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.514 HD13 ' HE1' ' A' ' 103' ' ' HIS . 0.3 OUTLIER . . . . . 0 CA--C 1.529 0.173 0 CA-C-O 120.668 0.27 . . . . 0.0 110.733 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.594 ' HB3' HD21 ' A' ' 36' ' ' LEU . 85.8 Cg_exo -51.81 -38.98 68.44 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.199 2.599 . . . . 0.0 113.932 -178.647 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.514 ' HE1' HD13 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -59.12 -18.66 37.64 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.237 -179.704 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.3 -46.42 90.36 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.846 0.355 . . . . 0.0 110.606 179.713 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.438 ' HB3' ' HB2' ' A' ' 82' ' ' MET . 15.2 p30 -74.65 -30.89 61.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.807 179.867 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 102' ' ' PRO . 41.9 t -63.19 -66.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.095 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.22 -39.77 60.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -67.38 -35.23 78.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.632 ' CE ' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -61.21 -43.8 98.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.316 179.682 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.525 ' O ' HG22 ' A' ' 113' ' ' ILE . 5.8 mtt180 -60.56 -29.06 68.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.295 179.435 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.0 t -59.66 -44.46 93.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.342 179.526 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.425 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -57.99 -37.23 73.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.878 179.62 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.525 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.8 OUTLIER -62.99 -32.06 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.949 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 8.2 p -59.11 -52.9 63.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.102 0.477 . . . . 0.0 109.86 179.402 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -48.39 56.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.147 179.145 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.483 ' CD1' HD13 ' A' ' 72' ' ' LEU . 31.9 m95 -56.86 -56.15 25.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.818 179.599 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 70.2 m -51.72 -43.15 62.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.987 0.422 . . . . 0.0 110.555 179.615 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -61.54 -32.54 72.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.34 179.497 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.9 ttm -71.51 -35.45 70.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.626 179.74 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -53.67 -46.07 70.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.689 179.786 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -85.94 -39.06 17.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.71 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.94 -58.49 6.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.171 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.782 HD21 ' HB ' ' A' ' 57' ' ' VAL . 5.9 tp -57.63 -45.4 85.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -58.34 -42.2 86.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.827 179.837 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -69.36 -53.99 16.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.009 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.75 -34.27 65.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.407 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 26.0 ttm -65.73 -31.37 72.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.763 179.865 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 123.92 41.73 0.4 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.314 -179.905 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 27.6 mt . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.341 . . . . 0.0 111.205 -179.89 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.461 0.087 0 CA-C-O 120.819 0.342 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 p -57.46 -32.12 66.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 p -70.21 -31.47 68.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.649 179.842 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.574 ' O ' HG23 ' A' ' 39' ' ' VAL . 4.8 tp-100 -70.86 -44.89 65.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.699 179.846 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.94 -49.68 65.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.227 179.472 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.463 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 1.7 pp -81.32 -17.55 48.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.363 179.805 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.558 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 2.5 m -71.46 -23.66 61.86 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.813 0.339 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.611 HG21 HG13 ' A' ' 106' ' ' VAL . 13.2 t -90.59 -44.57 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.518 179.796 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.463 ' CG ' ' HA ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -60.14 -27.67 67.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.995 0.426 . . . . 0.0 110.128 179.072 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -76.72 -42.74 40.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.225 179.389 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -75.33 -27.72 59.35 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.983 179.798 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.726 HD13 HG23 ' A' ' 76' ' ' THR . 0.0 OUTLIER -77.37 -67.67 0.69 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.741 179.953 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.639 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -46.99 -44.14 19.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.627 -179.789 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -55.03 -59.01 5.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.841 0.353 . . . . 0.0 110.962 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -66.26 -28.22 68.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.63 ' HB1' ' CE1' ' A' ' 73' ' ' TYR . . . -73.61 66.54 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.446 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 174.21 120.28 0.58 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.544 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.808 HD12 ' HB3' ' A' ' 53' ' ' GLN . 3.1 mm? -73.78 139.18 76.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.522 0.201 . . . . 0.0 110.733 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 22.3 Cg_exo -63.3 -73.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.319 2.012 . . . . 0.0 112.293 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.3 ttt-85 -148.52 -70.82 0.21 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.835 0.35 . . . . 0.0 111.35 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -58.47 -42.39 87.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.294 -179.545 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.808 ' HB3' HD12 ' A' ' 49' ' ' LEU . 28.7 mt-30 -52.65 -29.61 27.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.135 -179.744 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.424 ' HA ' HG12 ' A' ' 57' ' ' VAL . 27.0 t-80 -89.99 -37.28 14.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.963 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.98 -20.66 39.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.391 -179.808 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -97.47 -60.75 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 110.981 -179.803 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.795 HG23 HD12 ' A' ' 65' ' ' LEU . 9.4 p -58.97 -13.95 4.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -179.204 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.422 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 23.1 t -118.89 -31.33 4.81 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.219 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.93 -9.8 16.93 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -125.06 -63.83 1.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.701 0.286 . . . . 0.0 111.681 -179.466 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.59 149.96 0.37 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.99 -179.346 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.94 160.24 48.2 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.823 2.348 . . . . 0.0 112.635 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.91 -33.37 10.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.231 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.5 p -58.74 -47.13 85.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.708 179.888 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.795 HD12 HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -72.29 -37.06 69.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.592 179.634 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -60.55 -39.15 86.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.56 179.735 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -61.12 -40.58 94.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.205 179.389 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -32.25 73.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.583 179.506 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.545 ' CE2' HD23 ' A' ' 49' ' ' LEU . 10.7 t80 -55.91 -67.76 0.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.201 -179.863 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -64.91 -28.03 69.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 -179.761 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -60.01 -71.32 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.261 -179.701 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.819 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -52.68 -38.43 60.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.5 -179.538 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.819 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.7 t80 -72.16 -30.63 65.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.163 -179.741 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.8 t -55.83 -37.51 68.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.614 179.767 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.502 ' O ' HG23 ' A' ' 79' ' ' THR . 47.2 m-70 -78.58 -28.21 45.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.865 179.785 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.726 HG23 HD13 ' A' ' 43' ' ' LEU . 18.2 m -73.94 -40.55 63.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.207 -179.851 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -68.6 -31.77 71.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.483 -179.347 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -88.38 -9.44 52.66 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -179.445 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 75' ' ' HIS . 3.3 p -92.87 -43.42 8.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.557 0.218 . . . . 0.0 111.298 -179.689 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.639 HD22 ' HB2' ' A' ' 44' ' ' ALA . 1.8 mt -51.91 -26.12 9.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.742 0.306 . . . . 0.0 111.043 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.52 -43.8 96.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.587 179.629 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 65.5 mtm -68.66 -27.6 66.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.745 179.732 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.42 ' CB ' ' HB3' ' A' ' 40' ' ' ARG . . . -61.28 -52.1 66.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.004 179.931 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.529 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 1.7 p30 -88.95 51.5 2.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.8 179.877 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.6 tpt -130.48 -37.05 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.928 -179.578 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -73.57 -5.17 38.59 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.082 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.529 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 71.3 m80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 111.126 -179.882 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' ' 101' ' ' LEU . 1.2 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.727 0.299 . . . . 0.0 110.766 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.09 -42.03 0.44 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.651 2.234 . . . . 0.0 112.464 -179.847 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -77.37 -8.93 58.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.538 -179.687 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -48.21 -56.54 7.68 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.841 0.353 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.548 ' OD1' HG23 ' A' ' 106' ' ' VAL . 5.6 p30 -60.14 -51.86 67.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.908 179.932 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.611 HG13 HG21 ' A' ' 39' ' ' VAL . 24.6 t -54.85 -56.61 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.597 -179.817 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.01 -48.92 64.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.387 -179.657 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.448 ' HB3' HG21 ' A' ' 79' ' ' THR . 0.7 OUTLIER -73.2 -31.62 64.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.973 -179.833 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.486 ' SD ' HD12 ' A' ' 43' ' ' LEU . 4.2 mtm -70.17 -57.35 5.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.855 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.574 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -53.84 -25.64 20.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.95 0.405 . . . . 0.0 110.389 179.417 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -66.77 -38.49 86.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.151 179.324 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.72 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -57.21 -37.03 71.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.588 179.483 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.574 HG22 ' O ' ' A' ' 110' ' ' ARG . 1.5 tp -66.51 -31.84 55.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.433 179.56 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 63.0 m -56.44 -38.12 71.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.151 179.38 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.69 -46.48 11.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.207 179.274 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.543 ' CD1' HD13 ' A' ' 72' ' ' LEU . 24.9 m95 -58.13 -52.52 65.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.491 179.533 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.0 t -54.4 -47.06 73.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.453 179.46 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -60.54 -32.95 71.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.406 179.473 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 6.1 ttt -68.77 -38.55 80.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.62 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 33.8 ttt-85 -54.04 -39.34 66.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.695 179.81 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -83.44 -33.92 25.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.794 179.755 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.91 -59.32 2.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.7 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -53.66 -43.49 68.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.996 179.942 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -58.7 -43.35 90.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -67.88 -50.9 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.807 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.59 89.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 20.0 ttm -56.91 -37.1 70.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 133.63 43.07 0.14 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.638 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 31.0 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 111.063 179.916 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.854 0.359 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.0 p -55.19 -40.11 70.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 179.906 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 m -64.57 -30.31 71.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.483 179.517 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.524 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -67.79 -46.09 72.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.65 179.789 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.752 HD11 ' O ' ' A' ' 102' ' ' PRO . 4.2 mm? -52.95 -47.91 67.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.055 0.455 . . . . 0.0 110.011 179.376 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.48 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 1.3 pp -81.38 -18.62 44.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.293 179.62 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.449 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 27.8 t -71.01 -28.05 64.13 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.714 0.293 . . . . 0.0 111.253 -179.625 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 35' ' ' GLN . 6.6 t -88.65 -41.41 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 0.0 110.884 -179.886 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.499 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -63.16 -26.1 68.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.961 0.41 . . . . 0.0 110.226 179.409 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -78.13 -39.16 42.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.17 179.233 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -80.91 -30.78 35.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.033 179.851 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.774 HD11 ' HB3' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -75.61 -53.67 8.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.041 -179.799 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.583 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . . . -57.21 -35.89 70.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.085 179.905 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -59.3 -46.31 88.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.719 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.9 m -78.13 -25.88 47.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.805 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.825 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -74.16 78.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.345 -179.906 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.92 123.29 0.65 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.668 179.874 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.519 HD11 HG11 ' A' ' 57' ' ' VAL . 20.7 mt -73.0 144.23 84.92 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.615 0.245 . . . . 0.0 110.672 179.871 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.45 -83.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.382 2.055 . . . . 0.0 112.297 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.24 -67.37 0.24 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.81 0.338 . . . . 0.0 111.074 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -63.98 -31.0 72.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 -179.873 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.44 ' HG2' HD23 ' A' ' 123' ' ' LEU . 0.3 OUTLIER -56.21 -42.14 76.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.997 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.549 ' HA ' HG12 ' A' ' 57' ' ' VAL . 18.3 t-80 -73.99 -36.32 64.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.045 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.42 -21.68 38.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.442 -179.738 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.401 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 1.7 t80 -96.61 -53.92 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 111.088 -179.699 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.906 HG23 HD12 ' A' ' 65' ' ' LEU . 12.1 p -65.87 -9.69 8.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -179.406 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.469 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 9.0 t -113.88 -38.5 4.21 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -178.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.1 t -106.89 -9.96 16.16 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -178.689 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -117.38 -66.41 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.722 0.296 . . . . 0.0 111.485 -179.634 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.98 150.29 0.61 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.643 -179.656 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.15 160.1 49.03 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.666 2.244 . . . . 0.0 112.341 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.36 -38.02 62.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.061 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.6 p -56.76 -41.06 76.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.746 179.82 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.906 HD12 HG23 ' A' ' 57' ' ' VAL . 0.8 OUTLIER -67.44 -30.83 70.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.631 179.738 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -75.09 -32.95 61.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.789 179.87 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -58.89 -45.64 89.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -73.61 -26.52 60.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -57.76 -54.19 49.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -71.1 -30.35 66.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -60.24 -57.87 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.06 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.861 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.0 pp -58.34 -36.37 73.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.011 -179.881 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.861 ' N ' HD12 ' A' ' 72' ' ' LEU . 3.5 t80 -75.8 -30.39 59.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.847 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.8 p -54.76 -37.84 66.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.019 0.438 . . . . 0.0 110.386 179.613 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.421 ' O ' HG22 ' A' ' 79' ' ' THR . 11.0 m170 -81.47 -26.08 35.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.523 179.415 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.825 HG21 ' CB ' ' A' ' 47' ' ' ALA . 17.6 m -72.88 -36.1 67.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -74.89 -32.39 61.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 -179.654 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.37 -38.45 18.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.181 -179.912 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.541 HG22 ' HA ' ' A' ' 76' ' ' THR . 14.7 t -62.43 -46.76 87.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 110.955 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.583 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 62.8 mt -55.78 -35.1 65.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -63.45 -54.43 36.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 61.7 mtm -57.61 -22.31 44.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.24 25.11 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.318 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -138.91 26.33 2.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.2 mtm -130.14 -41.1 1.28 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 -179.857 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -42.52 -29.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.044 -179.569 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.342 . . . . 0.0 111.079 -179.796 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.524 HD13 ' NE2' ' A' ' 103' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.559 0.218 . . . . 0.0 110.694 . . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.752 ' O ' HD11 ' A' ' 36' ' ' LEU . 57.9 Cg_exo -51.69 -21.91 12.14 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.576 2.184 . . . . 0.0 112.924 -179.655 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.524 ' NE2' HD13 ' A' ' 101' ' ' LEU . 25.0 p80 -84.01 -23.35 30.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.615 0.245 . . . . 0.0 111.285 -179.738 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.426 ' CG ' HD12 ' A' ' 101' ' ' LEU . 5.3 mm-40 -52.76 -50.88 62.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.803 0.335 . . . . 0.0 110.657 179.728 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.503 ' O ' ' HG2' ' A' ' 109' ' ' MET . 4.7 p30 -59.02 -47.35 85.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.226 179.399 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.429 ' HA ' ' HG2' ' A' ' 109' ' ' MET . 80.1 t -45.95 -60.24 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.09 179.582 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -57.42 -33.85 68.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.994 0.426 . . . . 0.0 110.242 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.36 -22.88 62.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.124 179.748 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' A' ' 105' ' ' ASN . 2.3 mmt -66.87 -55.87 12.84 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.972 0.415 . . . . 0.0 110.534 179.881 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.11 -29.34 63.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.645 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -41.54 99.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.387 179.647 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.774 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -66.81 -48.04 70.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.81 179.655 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.26 -30.56 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.785 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 91.4 m -59.33 -38.07 79.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.36 179.606 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -87.48 -41.89 13.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.7 179.694 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -66.19 -50.58 63.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.68 179.748 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.0 t -57.84 -49.64 76.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.316 179.479 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -60.48 -31.77 70.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.292 179.257 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.2 ttt -74.93 -34.03 62.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.667 179.706 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -53.23 -43.27 67.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.736 179.814 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.46 -35.89 20.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.907 179.906 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.8 -58.54 4.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.724 HD21 ' HB ' ' A' ' 57' ' ' VAL . 2.6 tp -57.03 -42.5 80.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.967 179.911 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -59.56 -49.26 78.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.869 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -67.14 -44.67 79.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.44 -37.8 82.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 26.4 ttm -59.07 -47.81 83.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.819 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 149.54 41.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.462 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 16.5 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.815 0.341 . . . . 0.0 111.067 179.974 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.481 HG23 ' H ' ' A' ' 35' ' ' GLN . 12.5 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.906 0.384 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -58.01 -30.93 66.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.801 179.844 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 m -67.37 -32.37 73.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.774 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.619 ' OE1' HG13 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -78.02 -34.96 50.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.91 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 36' ' ' LEU . 3.8 mm? -52.79 -48.29 66.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.062 0.458 . . . . 0.0 109.896 179.508 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 pp -80.0 -22.35 42.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.224 178.9 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.5 t -59.28 -47.86 83.79 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.698 179.699 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.644 HG21 HG12 ' A' ' 106' ' ' VAL . 2.2 m -72.34 -36.86 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.023 179.822 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.724 ' HA ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -64.55 -22.69 67.04 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.144 179.454 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -83.6 -35.23 24.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.398 179.368 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 1.2 pp0? -81.85 -35.42 29.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.875 ' HB3' HD21 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -74.38 -66.63 0.71 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.448 179.806 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 1.025 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -46.35 -44.44 16.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.588 179.865 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -52.73 -50.38 63.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.848 0.356 . . . . 0.0 110.784 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.8 t -71.25 -26.9 63.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.682 179.642 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.543 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -72.57 65.63 0.68 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.449 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 175.64 130.67 1.35 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.525 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.686 HD12 ' HB3' ' A' ' 53' ' ' GLN . 2.7 mm? -83.18 136.31 43.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.52 0.2 . . . . 0.0 110.675 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 33.0 Cg_exo -58.25 -74.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.323 2.016 . . . . 0.0 112.441 -179.766 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.49 -74.81 0.18 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.857 0.36 . . . . 0.0 111.267 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.88 -38.92 62.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.353 -179.584 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.686 ' HB3' HD12 ' A' ' 49' ' ' LEU . 17.9 mt-30 -57.28 -33.36 67.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.628 ' HA ' HG12 ' A' ' 57' ' ' VAL . 22.8 t-80 -90.13 -39.88 12.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -56.3 -21.65 25.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.494 -179.725 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.54 -58.59 1.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.956 -179.747 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.861 HG23 HD12 ' A' ' 65' ' ' LEU . 10.9 p -56.19 -18.98 6.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.25 -179.32 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.7 p -112.77 -41.41 3.8 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.24 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.72 -9.83 39.28 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -178.886 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -124.58 -62.4 1.26 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.683 0.277 . . . . 0.0 111.611 -179.544 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.95 150.01 0.78 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.782 -179.54 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.66 160.17 48.94 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.762 2.308 . . . . 0.0 112.485 -179.829 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -49.54 -39.34 34.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.192 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 p -56.97 -47.05 81.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.92 0.391 . . . . 0.0 110.716 179.846 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.861 HD12 HG23 ' A' ' 57' ' ' VAL . 1.4 tm? -63.4 -34.98 78.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.407 179.625 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 69' ' ' TYR . 85.0 mtt180 -72.08 -32.77 67.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.78 179.662 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -56.21 -43.96 79.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -74.03 -26.2 60.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.225 -179.925 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.4 ' HB3' ' O ' ' A' ' 66' ' ' ARG . 8.0 t80 -55.41 -58.58 7.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.001 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -69.5 -27.94 65.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 -179.773 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -68.43 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 111.14 -179.857 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.721 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.4 pp -53.7 -39.18 64.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.06 -179.861 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.721 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.4 t80 -69.84 -29.55 66.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.749 179.877 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.73 -45.49 70.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.97 0.414 . . . . 0.0 110.336 179.599 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -75.19 -22.18 58.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.753 179.46 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.786 HG23 ' CD1' ' A' ' 43' ' ' LEU . 81.8 m -77.28 -35.97 54.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.057 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -75.04 -24.7 58.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.396 -179.713 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.12 -33.92 13.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.343 -179.715 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.527 HG22 ' HA ' ' A' ' 76' ' ' THR . 13.9 t -64.2 -47.13 80.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.089 -179.784 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 1.025 HD13 ' HB2' ' A' ' 44' ' ' ALA . 30.8 mt -62.12 -37.98 87.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.974 -179.8 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -55.24 -35.5 65.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.012 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 34.5 mtp -70.12 -31.36 68.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.462 ' HB2' ' HE1' ' A' ' 109' ' ' MET . . . -68.73 -50.47 50.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.82 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.473 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 4.1 t70 -86.07 51.29 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.9 tpp -130.26 -46.3 1.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.217 -179.899 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -19.29 47.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.956 -179.359 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.473 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 37.5 m80 . . . . . 0 C--N 1.33 -0.241 0 CA-C-O 120.987 0.422 . . . . 0.0 111.029 -179.838 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.641 HD13 ' HE1' ' A' ' 103' ' ' HIS . 1.0 OUTLIER . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 120.63 0.252 . . . . 0.0 110.588 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 101' ' ' LEU . 52.9 Cg_exo -55.37 -22.73 34.98 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.597 2.198 . . . . 0.0 112.906 -179.634 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.641 ' HE1' HD13 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -88.65 -8.87 53.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.574 -179.623 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -70.34 -33.79 71.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.839 0.352 . . . . 0.0 110.732 179.803 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.508 ' OD1' HG13 ' A' ' 106' ' ' VAL . 8.0 p30 -71.97 -49.21 39.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.938 179.883 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.644 HG12 HG21 ' A' ' 39' ' ' VAL . 31.7 m -57.16 -35.89 49.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.052 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -61.46 -54.72 39.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.48 179.72 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.07 -25.86 64.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.678 179.574 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.489 ' HE1' ' HA ' ' A' ' 80' ' ' LEU . 3.1 ttm -59.18 -66.05 0.57 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.787 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.511 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -52.44 -29.76 26.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.811 179.892 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.3 m -58.04 -38.09 75.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.437 179.472 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.625 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -62.34 -47.14 85.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.706 179.638 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.511 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.6 OUTLIER -59.3 -29.49 42.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.739 179.822 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.8 m -58.34 -48.61 79.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.233 179.58 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -80.65 -42.11 22.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.374 179.363 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.489 ' CE2' ' HA ' ' A' ' 47' ' ' ALA . 35.2 m95 -60.02 -51.09 71.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.733 179.773 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.5 t -53.42 -46.06 69.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.48 179.582 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -62.3 -32.02 72.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.5 179.501 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.8 ttt -73.02 -35.72 66.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.609 179.754 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -53.0 -45.18 67.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.768 179.815 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -82.5 -33.92 28.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.848 179.762 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.96 -59.85 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 tp -53.16 -44.51 67.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.502 ' HB3' HD12 ' A' ' 129' ' ' ILE . 17.8 mt-30 -60.91 -40.24 92.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.808 179.859 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.01 -31.62 58.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.792 179.928 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.88 -33.76 59.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 15.6 ttm -61.99 -53.52 54.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 173.5 39.18 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.515 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.502 HD12 ' HB3' ' A' ' 124' ' ' GLN . 26.2 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.817 0.341 . . . . 0.0 111.062 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 p . . . . . 0 N--CA 1.462 0.13 0 CA-C-O 120.808 0.337 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.5 p -56.57 -33.93 66.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 179.812 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.11 -30.03 68.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.37 179.6 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.616 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -70.96 -40.86 71.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.618 179.654 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.91 -48.77 66.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.129 179.4 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 pp -81.27 -22.54 38.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.695 179.29 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.441 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 42.9 t -61.78 -32.75 73.04 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-O 120.886 0.374 . . . . 0.0 110.6 179.756 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.724 HG12 ' HG2' ' A' ' 109' ' ' MET . 2.8 t -86.63 -34.07 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.169 -179.884 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.687 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -68.75 -27.13 65.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 110.221 179.641 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -81.11 -35.17 31.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.718 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -36.78 29.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.358 -179.698 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.974 HD13 HG23 ' A' ' 76' ' ' THR . 0.1 OUTLIER -71.59 -62.13 1.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.048 -179.653 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.57 -44.03 56.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.51 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -53.47 -49.72 66.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.055 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.78 -26.56 59.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.587 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -69.59 67.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.196 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.413 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 162.94 130.22 1.1 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.577 179.927 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.671 HD13 ' HB3' ' A' ' 53' ' ' GLN . 14.5 mt -79.58 156.75 75.4 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.566 0.222 . . . . 0.0 110.727 179.852 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 53' ' ' GLN . 10.9 Cg_exo -69.55 -76.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.579 2.186 . . . . 0.0 112.465 -179.642 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.53 -68.77 0.22 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.877 0.37 . . . . 0.0 111.605 -179.814 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -56.07 -45.81 79.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.323 -179.418 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.671 ' HB3' HD13 ' A' ' 49' ' ' LEU . 2.0 mt-30 -55.33 -25.82 37.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.083 -179.887 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.627 ' HA ' HG12 ' A' ' 57' ' ' VAL . 26.7 t-80 -89.26 -33.81 16.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.03 -17.24 62.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.356 -179.761 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.422 ' CD2' ' HG3' ' A' ' 127' ' ' MET . 0.6 OUTLIER -99.32 -48.03 4.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.759 0.314 . . . . 0.0 111.044 -179.821 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.851 HG23 HD12 ' A' ' 65' ' ' LEU . 14.2 p -68.44 -9.9 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -179.144 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -124.36 -38.12 2.46 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.37 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.56 -9.77 43.05 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.016 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -130.1 -62.44 0.94 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.764 -179.463 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.26 149.81 0.43 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.915 -179.341 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.11 160.2 48.0 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.694 2.263 . . . . 0.0 112.244 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.434 ' HG2' ' N ' ' A' ' 64' ' ' SER . 2.6 pm0 -50.37 -30.49 12.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.117 -179.899 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.434 ' N ' ' HG2' ' A' ' 63' ' ' GLN . 30.7 t -60.75 -46.0 92.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.47 179.724 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.851 HD12 HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -68.99 -34.41 75.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.419 179.569 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -69.06 -37.28 78.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.561 179.652 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.458 ' O ' ' ND2' ' A' ' 71' ' ' ASN . 11.5 m120 -59.47 -36.21 75.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.617 179.741 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -68.22 -35.11 77.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.742 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -54.56 -67.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.314 -179.754 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.31 -30.76 70.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.104 -179.741 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 67' ' ' ASN . 1.7 m-80 -60.15 -65.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 -179.827 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.841 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.5 pp -56.38 -36.97 69.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.21 -179.759 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.841 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.7 t80 -72.18 -33.47 67.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.122 -179.867 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.2 m -53.39 -38.63 63.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.003 0.43 . . . . 0.0 110.378 179.655 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -78.58 -24.82 45.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.684 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.974 HG23 HD13 ' A' ' 43' ' ' LEU . 98.9 m -73.37 -46.52 48.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.096 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -62.46 -37.55 86.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.565 -179.336 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.1 -27.9 48.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.416 -179.487 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.421 HG22 ' HB2' ' A' ' 108' ' ' ASP . 1.0 OUTLIER -70.59 -48.33 55.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.121 -179.848 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.687 HD23 ' HA ' ' A' ' 40' ' ' ARG . 2.8 mt -56.21 -31.04 63.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.337 . . . . 0.0 110.925 -179.914 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.94 -53.73 54.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.73 179.883 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.416 ' CB ' ' HB3' ' A' ' 105' ' ' ASN . 52.3 mtm -60.35 -20.37 59.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 179.551 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.532 ' HB2' ' CE ' ' A' ' 109' ' ' MET . . . -71.79 -58.5 3.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.092 179.889 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.441 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 1.8 p30 -84.21 54.52 2.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.202 -179.736 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.1 tpp -130.29 -46.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.96 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -57.16 -22.65 41.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.647 -179.702 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.441 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 22.1 m80 . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.974 0.416 . . . . 0.0 111.117 -179.767 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.554 HD12 ' CG ' ' A' ' 104' ' ' GLU . 6.0 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.657 0.265 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.68 -40.29 5.63 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.604 2.203 . . . . 0.0 112.775 -179.497 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.63 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.3 OUTLIER -78.93 -8.77 59.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.763 -179.446 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.554 ' CG ' HD12 ' A' ' 101' ' ' LEU . 1.1 mm-40 -62.63 -36.29 82.34 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.985 0.421 . . . . 0.0 110.61 179.665 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.551 ' OD1' HG13 ' A' ' 106' ' ' VAL . 7.9 p30 -79.01 -49.43 12.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.275 -179.78 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.63 HG22 ' HA ' ' A' ' 103' ' ' HIS . 6.5 m -59.23 -46.15 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.477 -179.607 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.458 ' N ' HG23 ' A' ' 106' ' ' VAL . 83.3 m-20 -61.56 -56.98 14.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.98 0.419 . . . . 0.0 110.537 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.421 ' HB2' HG22 ' A' ' 79' ' ' THR . 79.8 m-20 -59.7 -20.41 56.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.833 179.644 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.724 ' HG2' HG12 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -66.7 -54.56 21.76 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.875 0.369 . . . . 0.0 110.625 179.846 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.518 ' O ' HG22 ' A' ' 113' ' ' ILE . 1.8 mtt85 -55.63 -26.7 45.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.507 179.63 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 t -65.41 -38.42 89.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.513 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.7 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -61.97 -45.62 92.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.707 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.5 OUTLIER -62.01 -27.72 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.792 179.852 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 90.0 m -61.73 -36.91 82.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.988 0.423 . . . . 0.0 110.221 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -84.44 -42.47 15.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.417 179.501 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.497 ' CD1' HD13 ' A' ' 72' ' ' LEU . 64.5 m95 -66.19 -50.44 63.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.614 179.607 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.3 m -57.74 -51.07 71.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.477 179.617 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -56.82 -30.9 64.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.42 179.55 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.2 ttt -71.65 -34.38 69.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.417 179.595 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -42.07 70.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.591 179.689 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -82.1 -38.17 25.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.922 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.97 -59.65 2.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.799 HD21 ' HB ' ' A' ' 57' ' ' VAL . 5.1 tp -52.86 -39.61 62.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -63.03 -54.29 40.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.796 179.861 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -61.58 -38.29 87.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.92 -31.66 69.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.422 ' HG3' ' CD2' ' A' ' 56' ' ' PHE . 10.0 ttm -58.98 -38.21 78.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 144.94 44.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 20.9 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.812 0.339 . . . . 0.0 111.085 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.5 t0 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.824 0.345 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -70.16 174.41 5.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.71 HG23 HD22 ' A' ' 36' ' ' LEU . 2.1 m -66.29 153.77 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.924 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.6 p -58.11 158.79 6.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.021 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 m -60.58 -39.62 88.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.397 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.02 -28.08 69.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.43 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -77.54 -34.92 53.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.561 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.71 HD22 HG23 ' A' ' 31' ' ' VAL . 2.8 mm? -52.99 -48.96 67.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.106 0.479 . . . . 0.0 109.996 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 pp -78.67 -24.25 45.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.357 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 t -64.61 -35.93 82.58 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.665 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.831 HG22 ' HG2' ' A' ' 109' ' ' MET . 6.1 p -78.57 -31.17 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.649 ' HA ' ' HE3' ' A' ' 109' ' ' MET . 0.0 OUTLIER -75.34 -22.92 57.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.17 179.249 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.402 ' N ' ' HD3' ' A' ' 40' ' ' ARG . 12.0 m80 -79.91 -33.74 39.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.795 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -76.67 -33.56 58.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.818 ' HB3' HD21 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -72.38 -64.43 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.769 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.411 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . . . -52.11 -36.56 51.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.468 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -56.04 -48.72 75.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.799 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.412 ' CB ' HD11 ' A' ' 113' ' ' ILE . 61.5 m -80.66 -27.27 37.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.811 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.652 ' HB1' ' CE1' ' A' ' 73' ' ' TYR . . . -72.04 64.59 0.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.488 ' N ' ' CZ3' ' A' ' 116' ' ' TRP . . . 173.56 103.21 0.16 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.532 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.803 HD12 ' CB ' ' A' ' 53' ' ' GLN . 3.8 mm? -57.32 141.57 77.44 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 120.535 0.207 . . . . 0.0 110.61 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.406 ' HB2' ' H ' ' A' ' 51' ' ' ARG . 32.5 Cg_exo -56.42 -82.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.377 2.051 . . . . 0.0 112.717 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.406 ' H ' ' HB2' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -148.63 -68.57 0.22 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.884 0.373 . . . . 0.0 111.398 -179.817 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.13 -37.0 52.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.376 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.803 ' CB ' HD12 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -59.22 -39.9 84.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.991 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.47 ' HA ' HG12 ' A' ' 57' ' ' VAL . 27.2 t-80 -70.12 -45.3 67.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -53.9 -24.06 14.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.254 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -95.07 -58.9 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.024 HG23 HD12 ' A' ' 65' ' ' LEU . 10.8 p -61.26 -12.97 6.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.7 t -117.45 -34.32 4.33 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.92 -9.77 18.66 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -123.95 -67.24 0.94 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.456 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -39.97 151.24 0.24 Allowed Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.155 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.4 160.29 50.01 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.896 2.398 . . . . 0.0 112.547 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -46.98 -40.72 14.97 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.292 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -56.11 -33.16 64.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.002 0.429 . . . . 0.0 110.754 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.024 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -82.87 -29.1 29.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.889 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -77.08 -53.03 8.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.455 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -59.77 -36.21 76.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.088 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -73.22 -25.41 60.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.771 0.32 . . . . 0.0 110.918 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.67 ' CE2' HD23 ' A' ' 49' ' ' LEU . 7.2 t80 -59.45 -60.01 4.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.761 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.74 -27.91 67.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.172 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -55.92 -66.06 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.118 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.874 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.0 pp -52.87 -34.61 55.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.977 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.874 ' N ' HD12 ' A' ' 72' ' ' LEU . 8.0 t80 -74.51 -32.12 62.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.807 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.5 t -53.22 -37.47 62.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.032 0.444 . . . . 0.0 110.547 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.63 ' O ' HG23 ' A' ' 79' ' ' THR . 0.3 OUTLIER -79.89 -28.94 39.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.749 179.625 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.816 HG23 HD13 ' A' ' 43' ' ' LEU . 41.1 m -71.43 -38.37 71.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.172 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -67.09 -45.83 76.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.2 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.8 -21.13 62.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.549 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 75' ' ' HIS . 8.5 p -79.02 -48.14 14.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.605 0.24 . . . . 0.0 111.299 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.818 HD21 ' HB3' ' A' ' 43' ' ' LEU . 6.0 mt -55.5 -34.75 64.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.789 0.328 . . . . 0.0 110.994 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -57.58 -34.01 68.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 17.9 mtm -72.59 -31.46 65.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.783 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.478 ' HB2' ' HE2' ' A' ' 109' ' ' MET . . . -67.13 -61.76 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.0 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.577 ' O ' HG21 ' A' ' 91' ' ' THR . 7.2 t0 -82.22 57.1 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.977 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.447 ' HG3' HG21 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -130.18 -49.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.033 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -56.33 -22.34 30.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.788 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.744 ' HB2' HG22 ' A' ' 91' ' ' THR . 21.4 m80 -67.71 71.22 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 0.0 111.243 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -52.2 -24.56 7.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.505 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -90.28 -36.03 14.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.675 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.1 mtt -89.16 -56.64 3.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.697 0.284 . . . . 0.0 111.553 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.744 HG22 ' HB2' ' A' ' 87' ' ' HIS . 11.6 t -103.46 -167.74 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 111.168 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.96 97.79 2.19 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.666 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -94.28 34.47 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.754 0.311 . . . . 0.0 111.233 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 96' ' ' ILE . 54.1 m -99.47 -114.44 0.16 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.776 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.23 74.99 0.04 OUTLIER Glycine 0 C--N 1.335 0.497 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.638 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.447 HG21 ' HG3' ' A' ' 85' ' ' MET . 26.5 pt -121.43 -175.1 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.703 0.287 . . . . 0.0 111.05 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -47.15 166.71 0.18 Allowed Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.048 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.73 55.22 0.88 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.828 2.352 . . . . 0.0 112.702 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 53.49 104.44 0.01 OUTLIER Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.846 -0.692 . . . . 0.0 113.021 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.03 161.09 16.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.729 0.299 . . . . 0.0 110.643 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.5 mt -75.9 132.63 74.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.956 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.408 ' HB3' HD21 ' A' ' 36' ' ' LEU . 44.9 Cg_exo -56.51 -17.43 21.89 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.621 2.214 . . . . 0.0 112.796 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.431 ' HA ' HG22 ' A' ' 106' ' ' VAL . 7.3 p80 -89.63 -8.85 51.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.459 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -71.35 -33.79 69.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.875 0.369 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -76.61 -46.31 26.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.161 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.675 HG12 HG11 ' A' ' 39' ' ' VAL . 29.4 m -56.9 -39.61 66.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.264 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -61.45 -57.18 13.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.731 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.492 ' CG ' HG21 ' A' ' 79' ' ' THR . 2.8 t0 -62.36 -23.29 66.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.831 ' HG2' HG22 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -58.1 -66.2 0.52 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.168 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.505 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -56.61 -22.97 37.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.903 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.5 m -68.82 -41.08 79.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.117 0.484 . . . . 0.0 110.351 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.765 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -65.05 -45.86 83.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.624 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.505 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -61.2 -25.97 37.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.623 179.537 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 88.4 m -63.13 -37.08 85.78 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -82.86 -41.06 19.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.278 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.637 ' HZ3' HD22 ' A' ' 49' ' ' LEU . 35.9 m95 -67.19 -48.73 67.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.682 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 98.5 p -54.02 -46.97 71.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.569 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -59.86 -31.86 70.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.56 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.7 ttt -73.77 -36.16 65.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.679 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -51.29 -47.56 62.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -80.8 -33.86 34.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.061 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.99 -59.88 2.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.322 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.621 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.6 tp -51.22 -46.39 62.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.221 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.525 ' O ' HD12 ' A' ' 129' ' ' ILE . 0.1 OUTLIER -57.97 -42.65 85.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -70.19 -52.07 26.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.41 -35.91 72.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 34.1 ttm -57.54 -43.81 84.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 141.34 38.52 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.849 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.525 HD12 ' O ' ' A' ' 124' ' ' GLN . 2.8 mp -134.27 158.47 42.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 111.181 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.48 ' N ' HG22 ' A' ' 129' ' ' ILE . 4.9 m-70 -129.99 128.09 41.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -101.07 154.76 18.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.56 82.03 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.112 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.836 0.351 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.425 ' ND2' ' HG3' ' A' ' 102' ' ' PRO . 1.7 m-20 -107.91 141.93 38.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.452 HG22 ' HB2' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -50.1 157.53 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.9 p -56.36 140.29 45.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.58 -32.61 63.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.791 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 m -70.78 -30.96 67.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.763 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.438 ' HA ' ' HB3' ' A' ' 38' ' ' SER . 64.5 tp60 -72.83 -44.83 60.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 36' ' ' LEU . 22.8 mt -52.78 -46.71 67.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.068 0.461 . . . . 0.0 110.139 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.422 ' C ' HD12 ' A' ' 37' ' ' LEU . 3.2 pp -81.18 -24.5 37.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.728 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.438 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 22.3 t -57.8 -48.76 78.79 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.898 0.38 . . . . 0.0 110.746 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.725 HG13 ' HE2' ' A' ' 109' ' ' MET . 14.9 p -75.87 -29.21 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.302 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.646 ' HA ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -69.88 -28.1 65.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.868 0.366 . . . . 0.0 110.393 179.672 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -72.85 -39.23 66.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -79.02 -33.47 44.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.252 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.857 ' CD1' HG23 ' A' ' 76' ' ' THR . 0.2 OUTLIER -75.97 -67.13 0.71 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.739 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 1.097 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -44.27 -44.63 8.15 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.782 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -55.94 -51.02 69.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.187 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 t -70.61 -29.04 65.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.05 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.744 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -70.98 72.85 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.186 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.455 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . -169.53 140.12 5.94 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.563 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.663 HD13 ' HD2' ' A' ' 50' ' ' PRO . 3.0 mm? -87.32 136.16 33.78 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 120.553 0.216 . . . . 0.0 110.761 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.663 ' HD2' HD13 ' A' ' 49' ' ' LEU . 33.6 Cg_endo -65.47 -85.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.26 1.973 . . . . 0.0 112.316 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -148.34 -78.36 0.15 Allowed 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 120.833 0.349 . . . . 0.0 111.354 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.02 -40.4 89.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.641 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.61 ' O ' HG12 ' A' ' 57' ' ' VAL . 26.2 mt-30 -50.57 -27.09 6.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.38 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.571 ' HA ' HG12 ' A' ' 57' ' ' VAL . 23.4 t-80 -84.49 -50.87 7.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 111.065 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -51.19 -24.89 4.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.505 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.83 -53.75 4.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.033 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.812 HG23 HD12 ' A' ' 65' ' ' LEU . 12.7 p -66.03 -9.96 9.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.41 -38.75 2.97 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.38 -9.83 29.06 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -126.36 -63.68 1.08 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.33 149.94 0.29 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.143 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.28 160.28 45.34 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.847 2.365 . . . . 0.0 112.53 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -47.79 -38.78 16.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.212 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.5 m -56.99 -46.24 82.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.764 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.812 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -66.43 -37.63 85.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.622 179.729 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -69.72 -32.91 71.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.812 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -57.0 -47.74 80.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -72.16 -27.54 62.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.517 ' HD2' HG21 ' A' ' 57' ' ' VAL . 14.6 t80 -58.91 -54.22 49.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -78.23 -30.93 49.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.077 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -64.2 -53.73 44.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.038 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.747 HD12 ' N ' ' A' ' 73' ' ' TYR . 3.9 pp -58.8 -40.94 85.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.045 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.747 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.5 t80 -75.93 -30.79 58.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.006 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 26.2 t -52.51 -37.29 57.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.597 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.63 ' O ' HG23 ' A' ' 79' ' ' THR . 55.6 m80 -79.6 -35.64 39.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.601 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.857 HG23 ' CD1' ' A' ' 43' ' ' LEU . 87.7 m -60.92 -33.82 73.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -73.2 -47.11 46.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.472 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.88 -33.96 64.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.524 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 75' ' ' HIS . 20.4 p -60.91 -61.24 2.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.334 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 1.097 HD13 ' HB2' ' A' ' 44' ' ' ALA . 18.4 mt -53.89 -30.29 45.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.8 0.333 . . . . 0.0 110.951 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -47.97 83.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.787 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.401 ' HB2' ' HB3' ' A' ' 105' ' ' ASN . 27.7 mtm -64.99 -30.42 71.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.643 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . . . -69.26 -52.98 22.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.458 ' O ' HG21 ' A' ' 91' ' ' THR . 7.8 t70 -85.96 52.88 2.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.636 ' HA ' HG21 ' A' ' 91' ' ' THR . 1.5 tpt -130.22 -45.76 1.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -51.51 -25.62 6.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.686 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.471 ' HB2' HG22 ' A' ' 91' ' ' THR . 7.3 m80 -70.41 66.57 0.31 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.951 0.405 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.6 mtm-85 -49.18 -24.69 1.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.793 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -92.27 -30.17 16.01 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.445 ' HE3' ' HB3' ' A' ' 87' ' ' HIS . 5.5 mtm -94.15 -51.44 4.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.575 0.226 . . . . 0.0 111.607 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.636 HG21 ' HA ' ' A' ' 85' ' ' MET . 13.4 t -100.9 -171.08 1.94 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.812 0.339 . . . . 0.0 110.969 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.92 96.52 2.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.792 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.641 ' HA ' HD13 ' A' ' 96' ' ' ILE . . . -94.21 34.17 1.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.747 0.308 . . . . 0.0 111.307 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 63.5 m -99.79 -114.62 0.17 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.633 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.26 75.33 0.13 Allowed Glycine 0 C--N 1.335 0.496 0 C-N-CA 120.541 -0.837 . . . . 0.0 112.406 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.641 HD13 ' HA ' ' A' ' 93' ' ' ALA . 21.7 pt -127.46 -175.45 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.848 0.356 . . . . 0.0 111.156 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -50.14 167.38 0.25 Allowed Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.013 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.63 53.74 2.32 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.881 2.387 . . . . 0.0 112.596 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 45.86 78.71 0.08 OUTLIER Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.959 -0.639 . . . . 0.0 113.011 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -179.93 3.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.748 0.309 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.621 HD12 ' HG3' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -73.18 137.44 78.77 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.693 179.868 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 101' ' ' LEU . 19.0 Cg_exo -65.95 -28.99 49.73 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.554 2.169 . . . . 0.0 112.691 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.75 -12.59 47.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.748 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.621 ' HG3' HD12 ' A' ' 101' ' ' LEU . 7.7 mm-40 -59.07 -36.27 74.77 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.971 0.415 . . . . 0.0 110.495 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.453 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 8.8 p30 -79.16 -48.94 13.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.896 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.417 ' HA ' HG11 ' A' ' 39' ' ' VAL . 28.5 t -47.86 -68.71 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.958 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -55.75 -53.44 56.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.406 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -57.34 -26.06 60.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.429 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.725 ' HE2' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -61.75 -55.66 27.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.961 0.41 . . . . 0.0 110.551 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.469 ' O ' HG22 ' A' ' 113' ' ' ILE . 4.3 mtt180 -54.01 -27.42 31.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.554 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -63.94 -37.14 86.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.528 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.678 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -60.73 -47.05 88.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -61.62 -28.64 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 80.7 m -59.96 -37.4 79.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.956 0.408 . . . . 0.0 110.285 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -87.09 -40.12 14.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.437 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.541 ' CZ3' HD22 ' A' ' 49' ' ' LEU . 37.2 m95 -65.25 -50.08 67.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.529 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.6 t -58.23 -47.21 84.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.439 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.25 -35.01 76.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.513 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.9 ttt -68.91 -37.73 79.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.726 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.92 -43.72 66.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -83.24 -33.95 25.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.46 -59.33 2.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.359 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.674 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.6 tp -54.36 -45.48 72.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.162 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.8 ' O ' HD12 ' A' ' 129' ' ' ILE . 2.0 mt-30 -57.39 -47.97 80.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -65.38 -42.24 92.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.22 -35.88 76.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.231 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 21.5 ttm -56.94 -48.97 77.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 156.86 39.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.607 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.8 HD12 ' O ' ' A' ' 124' ' ' GLN . 2.4 mt -132.45 158.38 43.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.789 0.328 . . . . 0.0 111.013 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.483 ' N ' HG22 ' A' ' 129' ' ' ILE . 69.2 m80 -122.15 107.13 11.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -89.92 150.22 22.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.113 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -149.94 84.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.279 -0.867 . . . . 0.0 111.117 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.801 0.334 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -132.08 -178.61 4.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.628 HG23 ' CD2' ' A' ' 36' ' ' LEU . 2.7 m -81.73 169.73 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.882 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 t -72.71 145.25 47.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.025 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.39 -40.19 24.9 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.797 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.3 p -63.12 -31.37 72.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.412 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -35.36 63.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.628 ' CD2' HG23 ' A' ' 31' ' ' VAL . 4.5 mm? -52.88 -49.3 66.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.123 0.487 . . . . 0.0 110.103 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 pp -81.08 -25.04 37.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.595 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.9 t -58.75 -37.65 76.69 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.859 0.361 . . . . 0.0 110.683 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.4 ' HB ' ' CE ' ' A' ' 109' ' ' MET . 39.4 t -81.65 -35.39 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.167 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.708 ' HA ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -67.54 -25.25 65.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.754 0.311 . . . . 0.0 110.556 179.751 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -78.36 -38.17 42.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.703 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -79.28 -30.28 42.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.251 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.845 ' HB3' HD21 ' A' ' 80' ' ' LEU . 0.6 OUTLIER -76.36 -67.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.783 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 1.068 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -45.16 -43.78 10.25 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.574 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -56.52 -45.04 81.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 m -74.45 -23.38 58.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 48' ' ' GLY . . . -77.75 -167.7 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.076 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 47' ' ' ALA . . . 33.82 99.98 0.01 OUTLIER Glycine 0 CA--C 1.52 0.386 0 CA-C-N 115.725 -0.67 . . . . 0.0 113.963 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.656 HD13 ' HB3' ' A' ' 53' ' ' GLN . 59.0 mt -50.21 149.81 4.9 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.687 0.279 . . . . 0.0 111.069 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.69 -79.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.583 2.189 . . . . 0.0 112.44 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.18 -69.32 0.23 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.847 0.356 . . . . 0.0 110.97 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -54.07 -39.84 66.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.037 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.656 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -62.06 -28.12 69.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.518 ' HA ' HG12 ' A' ' 57' ' ' VAL . 19.0 t-80 -82.66 -45.04 15.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.48 -25.9 7.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.383 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.401 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 4.6 t80 -85.08 -58.59 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.953 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.731 HG23 HD12 ' A' ' 65' ' ' LEU . 14.7 p -61.38 -12.45 6.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -179.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -117.39 -37.76 3.45 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.64 -9.76 21.58 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -123.89 -67.61 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.404 ' CB ' ' HA ' ' A' ' 57' ' ' VAL . . . -39.26 150.82 0.22 Allowed Pre-proline 0 N--CA 1.463 0.207 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.154 -179.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.22 160.25 50.58 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.833 2.355 . . . . 0.0 112.5 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.03 -38.98 40.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.143 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.5 m -57.84 -39.35 77.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.731 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -73.83 -35.58 64.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.834 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.05 -33.71 72.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -62.27 -47.18 85.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.98 -27.07 63.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -54.47 -71.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -59.07 -24.18 62.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -63.81 -64.24 0.95 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.154 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.888 HD12 ' N ' ' A' ' 73' ' ' TYR . 3.5 pp -55.34 -30.38 60.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.106 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.888 ' N ' HD12 ' A' ' 72' ' ' LEU . 7.0 t80 -78.6 -33.6 47.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.766 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.96 -44.72 50.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.021 0.439 . . . . 0.0 110.41 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.422 ' O ' ' HB ' ' A' ' 79' ' ' THR . 4.1 m-70 -78.22 -25.71 47.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.53 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.743 HG23 HD11 ' A' ' 43' ' ' LEU . 44.5 m -73.98 -46.69 42.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -67.52 -25.24 65.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.34 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.28 -33.14 13.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.744 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.538 HG22 ' HA ' ' A' ' 76' ' ' THR . 13.0 t -65.19 -47.05 78.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.752 0.31 . . . . 0.0 110.928 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 1.068 HD13 ' HB2' ' A' ' 44' ' ' ALA . 55.5 mt -58.54 -40.03 81.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.67 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.33 -44.28 84.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.474 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.433 ' CB ' ' HB3' ' A' ' 105' ' ' ASN . 0.0 OUTLIER -58.63 -26.68 63.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.697 179.488 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.477 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . . . -82.74 -28.71 30.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -90.9 38.66 0.96 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.262 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.698 ' CE ' HD11 ' A' ' 96' ' ' ILE . 65.3 mtp -130.44 -46.59 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.003 0.43 . . . . 0.0 110.81 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -42.16 -31.21 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.864 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.718 ' HB2' HG22 ' A' ' 91' ' ' THR . 5.5 m-70 -72.42 64.51 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.866 0.365 . . . . 0.0 110.682 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -72.51 -20.14 61.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -100.11 -38.8 8.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -69.5 -72.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.012 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.718 HG22 ' HB2' ' A' ' 87' ' ' HIS . 5.2 t -103.88 164.7 11.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.87 69.84 1.14 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.531 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.17 -62.92 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.54 -179.43 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.82 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -122.72 61.89 0.55 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.571 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.698 HD11 ' CE ' ' A' ' 85' ' ' MET . 14.7 pt -120.37 166.21 15.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.938 0.399 . . . . 0.0 111.237 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -58.89 165.22 3.48 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.807 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 99' ' ' GLY . 93.1 Cg_endo -87.16 40.87 0.69 Allowed 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.779 2.32 . . . . 0.0 112.538 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 98' ' ' PRO . . . -20.74 -54.26 0.01 OUTLIER Glycine 0 C--N 1.338 0.654 0 CA-C-N 116.06 -0.518 . . . . 0.0 114.206 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.413 ' SD ' ' HE2' ' A' ' 82' ' ' MET . 0.0 OUTLIER -109.26 179.86 4.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.973 0.416 . . . . 0.0 111.222 -179.589 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.539 HD13 ' NE2' ' A' ' 103' ' ' HIS . 28.9 mt -103.63 149.55 37.2 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.892 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.449 ' O ' HD11 ' A' ' 36' ' ' LEU . 78.2 Cg_exo -50.05 -24.68 11.32 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.754 2.303 . . . . 0.0 112.869 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.539 ' NE2' HD13 ' A' ' 101' ' ' LEU . 4.8 p80 -89.18 -8.83 52.85 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -70.78 -33.75 71.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.023 0.439 . . . . 0.0 110.522 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.477 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 9.2 p30 -74.02 -42.14 60.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.183 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 103' ' ' HIS . 11.2 m -65.4 -37.26 79.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.802 0.334 . . . . 0.0 111.207 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.15 -52.58 63.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.807 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.35 -25.27 65.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.697 ' CG ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -63.9 -63.65 1.1 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.955 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.468 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -50.17 -30.16 10.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.795 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -61.93 -36.44 81.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.479 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.612 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -61.45 -50.72 71.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.804 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.468 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -57.06 -29.58 31.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 48.8 m -59.95 -39.66 86.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.947 0.404 . . . . 0.0 110.354 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.86 -40.37 14.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.617 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.448 ' NE1' HD13 ' A' ' 72' ' ' LEU . 74.1 m95 -66.93 -43.59 82.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.758 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 113' ' ' ILE . 68.4 m -61.8 -50.39 72.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.048 0.451 . . . . 0.0 110.042 179.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.89 -33.84 72.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.283 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 4.1 ttt -72.54 -36.06 68.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.608 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -50.86 -43.82 59.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.808 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.06 -41.59 20.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.964 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.54 -58.54 6.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.259 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.491 HD21 ' HB ' ' A' ' 57' ' ' VAL . 4.2 tp -52.66 -44.53 66.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -57.16 -47.98 79.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -61.62 -51.69 67.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.038 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.32 88.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.213 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.401 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 7.8 ttm -55.39 -46.52 76.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 152.9 43.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.531 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 130' ' ' HIS . 22.4 mt -134.28 159.69 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 111.052 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.487 ' N ' HG22 ' A' ' 129' ' ' ILE . 70.3 m80 -133.9 114.0 12.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -107.14 147.79 29.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -149.81 92.39 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.567 HD12 ' N ' ' A' ' 133' ' ' ILE . 3.5 mp . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.174 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 t70 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.842 0.353 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -97.87 -178.07 3.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.761 HG23 ' CD2' ' A' ' 36' ' ' LEU . 2.4 m -60.74 151.7 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.025 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.653 HG23 ' H ' ' A' ' 35' ' ' GLN . 5.0 t -56.2 162.83 1.83 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -37.83 88.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.612 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.94 -31.43 72.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.743 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.653 ' H ' HG23 ' A' ' 32' ' ' THR . 10.6 tp-100 -72.95 -37.37 67.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.84 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.761 ' CD2' HG23 ' A' ' 31' ' ' VAL . 3.0 mm? -52.86 -49.22 66.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.117 0.484 . . . . 0.0 110.151 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 pp -81.13 -23.19 38.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.587 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.5 t -55.58 -46.98 77.18 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.746 HG23 ' CE ' ' A' ' 109' ' ' MET . 0.2 OUTLIER -77.47 -40.49 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.228 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.594 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -60.57 -20.82 61.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.77 0.319 . . . . 0.0 110.25 179.492 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -81.91 -36.59 27.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.273 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.515 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 8.1 pt20 -81.58 -37.39 27.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.741 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.902 ' CD1' HG23 ' A' ' 76' ' ' THR . 0.8 OUTLIER -71.06 -58.0 3.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.824 -179.839 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.533 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -50.34 -56.01 13.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.552 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -53.17 -50.28 64.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.236 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.4 m -63.21 -27.74 69.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.664 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -76.96 78.72 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.233 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.445 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 171.84 136.18 2.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.595 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.677 HD12 ' HB3' ' A' ' 53' ' ' GLN . 3.1 mm? -88.28 135.28 33.15 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 120.503 0.192 . . . . 0.0 110.683 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -55.93 -77.45 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.251 1.967 . . . . 0.0 112.459 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -148.7 -70.43 0.21 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.836 0.351 . . . . 0.0 111.491 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -36.11 75.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.409 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.677 ' HB3' HD12 ' A' ' 49' ' ' LEU . 1.7 mp0 -52.16 -25.9 10.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.297 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.615 ' HA ' HG12 ' A' ' 57' ' ' VAL . 31.7 t-80 -90.08 -37.38 14.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.177 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -56.05 -23.35 32.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.527 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 61' ' ' ALA . 3.6 t80 -98.78 -57.96 2.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.755 0.312 . . . . 0.0 111.264 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.992 HG23 HD12 ' A' ' 65' ' ' LEU . 13.3 p -56.3 -16.63 3.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.145 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.416 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 51.7 p -117.04 -35.34 4.11 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -179.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.84 -9.83 22.46 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -178.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -127.27 -63.68 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.423 ' CB ' ' HA ' ' A' ' 57' ' ' VAL . . . -40.47 150.74 0.27 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.083 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.32 160.27 45.24 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.789 2.326 . . . . 0.0 112.382 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.401 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -47.17 -39.06 12.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.27 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.4 p -56.01 -37.41 69.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.994 0.426 . . . . 0.0 110.619 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.992 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -75.69 -39.22 57.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.532 179.673 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.401 ' HD2' ' HA ' ' A' ' 63' ' ' GLN . 70.4 mtt180 -70.35 -32.87 70.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.904 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -61.53 -49.87 74.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -70.18 -26.34 63.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.4 ' HD2' HG21 ' A' ' 57' ' ' VAL . 15.3 t80 -53.41 -53.97 43.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.049 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -79.49 -28.18 41.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.073 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.2 -61.84 2.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.071 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.764 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -56.32 -42.16 77.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.078 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.764 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.9 t80 -69.12 -29.06 67.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.6 t -54.95 -43.88 73.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.927 0.394 . . . . 0.0 110.548 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.94 -27.37 61.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.604 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.902 HG23 ' CD1' ' A' ' 43' ' ' LEU . 65.5 m -71.53 -36.73 71.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -74.27 -24.48 59.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.548 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.85 -26.31 14.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.558 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.563 HG22 ' HA ' ' A' ' 76' ' ' THR . 14.7 t -71.95 -48.43 45.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.313 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.66 HD21 ' HB3' ' A' ' 43' ' ' LEU . 4.6 mt -56.74 -37.09 70.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.843 0.354 . . . . 0.0 110.748 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -55.85 -47.58 77.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.773 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 77.7 mtm -65.04 -24.05 67.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.838 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.488 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -75.68 -40.49 55.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.289 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.408 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 34.8 t70 -91.43 40.94 1.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.209 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.609 ' CA ' HG21 ' A' ' 91' ' ' THR . 11.9 tpp -130.5 -40.47 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.402 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.78 -24.24 5.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.935 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.854 ' HB2' HG22 ' A' ' 91' ' ' THR . 21.4 m80 -62.28 -160.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.667 0.27 . . . . 0.0 110.361 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.4 mmt-85 -131.39 -64.32 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.833 0.349 . . . . 0.0 111.414 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -86.61 -42.68 13.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.94 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.9 mtm -56.62 -23.43 41.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.055 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.854 HG22 ' HB2' ' A' ' 87' ' ' HIS . 9.8 t -140.54 -177.95 5.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.687 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.67 107.53 3.56 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.59 -0.815 . . . . 0.0 112.286 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.72 34.12 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.703 0.287 . . . . 0.0 111.437 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.1 m -103.83 -114.74 0.22 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.641 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -70.39 68.43 0.71 Allowed Glycine 0 C--N 1.334 0.471 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.403 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.459 HG22 ' SD ' ' A' ' 85' ' ' MET . 42.7 pt -87.19 -176.55 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 111.26 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.441 ' ND2' ' HG2' ' A' ' 100' ' ' MET . 13.2 p30 -53.38 166.79 0.51 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.032 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -69.1 56.83 1.13 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.799 2.333 . . . . 0.0 112.414 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 65.25 125.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.688 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.695 ' HE1' ' HA ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -151.47 153.53 34.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.722 0.296 . . . . 0.0 110.694 179.852 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.719 HD13 ' CE1' ' A' ' 103' ' ' HIS . 1.1 mt -78.14 131.87 68.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.956 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.695 ' HA ' ' HE1' ' A' ' 100' ' ' MET . 41.0 Cg_exo -56.89 -19.17 30.65 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.64 2.227 . . . . 0.0 112.676 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.719 ' CE1' HD13 ' A' ' 101' ' ' LEU . 8.0 p80 -86.03 -22.7 27.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.179 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -53.27 -53.62 48.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.82 0.343 . . . . 0.0 110.965 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.405 HD21 HD11 ' A' ' 36' ' ' LEU . 8.6 p30 -60.67 -32.19 71.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.713 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.8 t -65.98 -62.02 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -54.71 -35.23 63.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.16 -35.57 64.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.685 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.746 ' CE ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -60.03 -50.14 74.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.512 179.781 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.412 ' O ' HG22 ' A' ' 113' ' ' ILE . 2.1 mtm105 -59.43 -30.84 68.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.482 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -34.77 74.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.639 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.681 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -64.11 -48.35 76.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.81 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.4 OUTLIER -60.6 -28.71 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.706 179.783 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 54.5 m -59.97 -41.46 92.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.358 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -85.68 -41.28 15.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.29 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.487 ' CD1' HD13 ' A' ' 72' ' ' LEU . 40.8 m95 -62.34 -50.09 73.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.408 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.2 t -57.99 -47.18 83.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.393 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.8 -32.96 71.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.528 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.0 ttt -69.17 -40.26 78.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.665 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.449 ' O ' ' NE2' ' A' ' 124' ' ' GLN . 75.4 mtt180 -51.59 -41.19 61.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.868 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -82.66 -44.26 15.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.0 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.23 -59.09 4.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.281 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.741 HD21 ' HB ' ' A' ' 57' ' ' VAL . 3.8 tp -52.78 -45.16 67.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 120' ' ' ARG . 27.6 mt-30 -57.88 -47.6 82.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.997 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -68.49 -40.53 80.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.28 -37.73 80.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 25.3 ttm -54.95 -49.1 72.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 155.25 41.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 130' ' ' HIS . 21.6 mt -135.34 157.67 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.343 . . . . 0.0 111.133 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.46 ' N ' HG22 ' A' ' 129' ' ' ILE . 20.4 t-160 -130.04 130.14 44.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.11 144.48 40.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.094 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -136.7 85.58 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.098 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.854 0.359 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -124.18 -177.72 3.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.685 HG21 HG11 ' A' ' 106' ' ' VAL . 4.2 m -84.39 154.51 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.8 p -58.98 158.52 8.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.449 ' HA ' HD12 ' A' ' 36' ' ' LEU . 1.3 p -60.01 -38.9 84.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.621 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.34 -26.24 65.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.781 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -78.66 -40.23 34.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 33' ' ' SER . 50.1 mt -52.86 -44.64 66.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.02 0.438 . . . . 0.0 110.158 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 pp -81.31 -29.02 34.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.313 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.9 t -54.76 -48.13 73.0 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.839 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.463 HG13 ' HE3' ' A' ' 109' ' ' MET . 12.1 p -71.42 -38.34 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.557 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -61.73 -25.04 67.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.813 0.339 . . . . 0.0 110.369 179.661 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -74.85 -36.91 62.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.212 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.459 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 4.7 pt20 -81.69 -32.26 31.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.915 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.85 ' HB3' HD21 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -75.43 -67.2 0.68 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.591 -179.859 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 1.083 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -47.0 -46.48 21.8 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.513 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -56.43 -61.34 2.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.833 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 m -59.79 -26.49 65.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' A' ' 116' ' ' TRP . . . -73.28 63.63 0.75 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.227 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.487 ' N ' ' CZ3' ' A' ' 116' ' ' TRP . . . 174.42 112.73 0.3 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.565 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.764 HD23 ' CE2' ' A' ' 69' ' ' TYR . 3.5 mm? -59.91 147.44 79.44 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.56 0.219 . . . . 0.0 110.466 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.57 -83.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.482 2.121 . . . . 0.0 112.557 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.17 -71.14 0.21 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.798 0.332 . . . . 0.0 111.144 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.82 -35.75 45.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.495 ' CB ' HD12 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -61.31 -34.14 74.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.711 ' HA ' HG12 ' A' ' 57' ' ' VAL . 25.5 t-80 -75.65 -41.33 54.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.48 -19.45 47.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.417 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -97.56 -38.31 9.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.396 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.995 HG23 HD12 ' A' ' 65' ' ' LEU . 14.1 p -77.85 -9.6 12.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.2 m -121.68 -40.8 2.52 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -90.77 -9.8 45.22 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -129.43 -62.62 0.97 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.808 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -42.62 150.48 0.42 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.972 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.74 160.31 48.39 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.796 2.331 . . . . 0.0 112.495 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -46.45 -42.59 15.59 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.265 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.08 -31.6 61.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.796 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.995 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -84.71 -29.59 25.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.862 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -77.1 -50.43 13.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.39 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -61.62 -38.98 89.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.006 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.658 ' HD3' HD22 ' A' ' 65' ' ' LEU . 7.8 ptm180 -69.14 -26.88 65.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.81 0.338 . . . . 0.0 110.826 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.764 ' CE2' HD23 ' A' ' 49' ' ' LEU . 7.5 t80 -58.82 -59.28 5.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.761 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -71.26 -27.62 63.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.2 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.6 -60.99 2.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.09 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.737 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.5 pp -57.19 -34.27 68.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.98 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.737 ' N ' HD12 ' A' ' 72' ' ' LEU . 7.1 t80 -75.29 -32.6 61.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.877 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.36 -37.95 62.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.52 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.568 ' O ' HG23 ' A' ' 79' ' ' THR . 5.0 m80 -82.16 -24.63 34.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.62 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.765 HG23 ' CD1' ' A' ' 43' ' ' LEU . 52.8 m -72.62 -42.91 63.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -67.64 -41.3 84.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.299 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -20.5 60.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.382 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 75' ' ' HIS . 2.5 p -80.33 -52.36 7.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.663 0.268 . . . . 0.0 111.106 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 1.083 HD13 ' HB2' ' A' ' 44' ' ' ALA . 13.4 mt -55.04 -35.54 64.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.87 -24.21 35.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.104 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 68.7 mtm -81.15 -0.76 41.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.422 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.96 -25.27 9.07 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.572 0.225 . . . . 0.0 111.558 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -96.22 35.48 1.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.319 . . . . 0.0 111.205 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.5 mtt -130.87 -51.7 1.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.741 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 88' ' ' ARG . 6.5 mm-40 -37.45 -69.76 0.11 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.086 -0.507 . . . . 0.0 112.079 -179.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.06 71.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.098 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.445 HH12 HD13 ' A' ' 96' ' ' ILE . 4.0 mtt-85 -52.26 -32.53 37.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.113 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -56.83 -51.76 67.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.632 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 65.5 mtm -80.29 -34.46 36.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.049 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.6 t -176.85 137.64 0.25 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.905 0.383 . . . . 0.0 111.355 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.615 ' O ' ' N ' ' A' ' 94' ' ' SER . . . 134.91 -85.56 0.26 Allowed Glycine 0 CA--C 1.509 -0.32 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.639 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 92' ' ' GLY . . . 22.17 35.8 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.615 ' N ' ' O ' ' A' ' 92' ' ' GLY . 15.4 m -135.51 174.93 10.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.735 0.302 . . . . 0.0 110.797 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -55.81 95.41 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.393 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 94' ' ' SER . 19.6 pt -84.5 -174.45 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.921 0.391 . . . . 0.0 111.452 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.14 166.35 34.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -69.39 56.97 1.27 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.818 2.345 . . . . 0.0 112.339 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.65 125.06 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.682 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.562 ' HE1' ' HA ' ' A' ' 102' ' ' PRO . 0.3 OUTLIER -145.82 168.25 21.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.34 . . . . 0.0 110.846 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.713 HD12 ' CG ' ' A' ' 104' ' ' GLU . 1.1 mt -80.86 131.35 60.48 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.749 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.562 ' HA ' ' HE1' ' A' ' 100' ' ' MET . 39.1 Cg_exo -60.2 -17.81 48.23 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.418 2.079 . . . . 0.0 112.575 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.415 ' HA ' HG22 ' A' ' 106' ' ' VAL . 15.4 p80 -94.87 -12.94 26.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.542 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.713 ' CG ' HD12 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -60.45 -28.18 68.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.904 0.383 . . . . 0.0 110.76 179.818 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.551 ' OD1' HG13 ' A' ' 106' ' ' VAL . 6.6 p30 -79.12 -54.16 6.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.335 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.685 HG11 HG21 ' A' ' 31' ' ' VAL . 32.8 m -55.21 -45.94 77.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.765 0.316 . . . . 0.0 111.573 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.476 ' N ' HG23 ' A' ' 106' ' ' VAL . 21.5 t0 -61.42 -54.26 45.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.871 0.367 . . . . 0.0 110.716 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -64.75 -22.83 67.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.482 ' SD ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -66.47 -62.17 1.61 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.791 0.329 . . . . 0.0 110.859 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.466 ' O ' HG22 ' A' ' 113' ' ' ILE . 2.9 ptp85 -51.8 -26.35 9.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.765 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -66.58 -37.16 84.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.547 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.646 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -61.1 -46.29 91.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.812 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.4 OUTLIER -60.02 -29.15 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 60.1 m -60.67 -39.2 87.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.212 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.88 -42.2 15.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.481 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.692 ' HZ3' HD22 ' A' ' 49' ' ' LEU . 46.2 m95 -64.63 -49.55 70.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.569 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.7 t -57.09 -43.91 82.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.539 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -59.3 -35.48 73.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.591 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.6 ttt -71.59 -32.88 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.678 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.8 ttt-85 -55.02 -41.17 70.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.809 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.17 -43.02 15.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.918 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.07 -57.02 9.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.415 HD21 ' HB ' ' A' ' 57' ' ' VAL . 6.9 tp -55.78 -43.74 77.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.403 ' O ' HD12 ' A' ' 129' ' ' ILE . 38.0 mt-30 -59.87 -45.39 92.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.27 -52.31 35.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.13 -32.45 64.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 21.1 ttm -67.06 -31.78 72.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.774 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 125.99 38.93 0.44 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.589 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.493 HG22 ' N ' ' A' ' 130' ' ' HIS . 5.9 mt -128.43 158.46 40.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.814 0.34 . . . . 0.0 111.054 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.493 ' N ' HG22 ' A' ' 129' ' ' ILE . 3.1 t-80 -129.65 130.02 45.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -119.52 147.65 44.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.61 ' O ' HD12 ' A' ' 133' ' ' ILE . 0.6 OUTLIER -150.05 79.88 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.758 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.61 HD12 ' O ' ' A' ' 132' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.276 -0.868 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.76 0.314 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.454 ' HB3' ' HB3' ' A' ' 102' ' ' PRO . 2.0 m-20 -101.51 147.91 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.506 HG22 ' HB2' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -52.4 158.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.019 179.798 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 p -58.62 141.04 53.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.658 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -54.69 -31.35 57.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 t -71.75 -29.93 65.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.655 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.421 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 60.6 tp60 -71.69 -41.37 68.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.413 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.543 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 90.2 mt -57.71 -45.6 85.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.145 0.498 . . . . 0.0 109.897 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.452 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 1.8 pp -81.2 -14.95 57.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.937 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.421 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 3.7 m -68.46 -28.29 66.91 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.831 0.348 . . . . 0.0 110.726 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.576 HG11 HG13 ' A' ' 106' ' ' VAL . 27.1 m -91.37 -38.57 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.275 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.652 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -61.88 -27.26 68.68 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.629 -0.429 . . . . 0.0 110.084 179.291 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -81.1 -40.54 23.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.405 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 3.0 pp0? -72.93 -36.59 67.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.777 HD12 ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -69.21 -62.65 1.29 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.625 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.72 -30.99 15.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -59.43 -46.28 89.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.618 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.3 m -86.48 -28.5 23.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.815 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.422 ' HB1' ' HE1' ' A' ' 73' ' ' TYR . . . -74.71 64.03 1.2 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.95 121.52 1.01 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.593 HD13 ' HD2' ' A' ' 50' ' ' PRO . 2.5 mm? -75.18 127.48 86.44 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.573 0.225 . . . . 0.0 110.802 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.593 ' HD2' HD13 ' A' ' 49' ' ' LEU . 37.6 Cg_endo -66.33 -87.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.331 2.021 . . . . 0.0 112.304 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.31 -71.34 0.21 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.887 0.375 . . . . 0.0 111.22 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -60.4 -43.61 96.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.339 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.41 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -52.61 -30.16 29.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.203 -179.741 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.607 ' HA ' HG12 ' A' ' 57' ' ' VAL . 26.7 t-80 -87.79 -36.56 17.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.902 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -21.9 31.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.308 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.431 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 1.9 t80 -95.2 -57.31 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.776 0.322 . . . . 0.0 110.995 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.931 HG23 HD12 ' A' ' 65' ' ' LEU . 15.0 p -61.11 -12.46 5.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.458 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 5.8 t -118.76 -33.43 4.24 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.062 0.394 . . . . 0.0 112.062 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.9 -9.81 18.65 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.1 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -124.23 -66.59 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.753 0.311 . . . . 0.0 111.73 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.402 ' CB ' ' HA ' ' A' ' 57' ' ' VAL . . . -41.71 153.33 0.27 Allowed Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.019 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.26 160.21 49.9 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.769 2.313 . . . . 0.0 112.445 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -52.97 -35.27 58.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.1 m -57.74 -40.88 80.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.779 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.931 HD12 HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -71.17 -29.91 65.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.815 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -74.77 -32.97 62.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -62.41 -44.96 95.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -73.24 -24.27 60.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.044 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -56.63 -57.7 11.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -72.79 -27.32 61.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.207 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.18 -60.32 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.26 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.723 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.3 pp -55.1 -44.43 74.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.194 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.723 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.2 t80 -68.9 -24.85 64.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.971 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -50.73 71.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.854 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.554 ' CE1' ' O ' ' A' ' 72' ' ' LEU . 2.1 p80 -74.16 -19.93 60.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.684 HG23 HD13 ' A' ' 43' ' ' LEU . 88.3 m -72.84 -45.92 55.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.862 0.363 . . . . 0.0 110.798 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -62.4 -42.95 99.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.359 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.67 -30.15 64.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.408 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 75' ' ' HIS . 2.8 p -70.08 -44.28 69.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.748 0.309 . . . . 0.0 110.991 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.652 HD23 ' HA ' ' A' ' 40' ' ' ARG . 23.7 mt -55.83 -25.38 41.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.89 -52.03 41.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 68.3 mtm -54.93 -26.16 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.565 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . . . -89.96 10.02 25.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.31 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.478 ' C ' HG21 ' A' ' 91' ' ' THR . 2.5 t0 -142.52 47.57 1.57 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.8 0.333 . . . . 0.0 110.663 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.22 -57.74 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.349 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -44.51 -29.14 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.092 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.549 ' HB2' HG22 ' A' ' 91' ' ' THR . 3.7 m80 -73.13 71.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.976 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.82 ' HA ' ' HB2' ' A' ' 93' ' ' ALA . 20.1 mtt-85 -52.5 -22.24 4.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.797 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -97.17 -29.88 13.33 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 4.4 mtm -94.43 -20.82 19.36 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.549 HG22 ' HB2' ' A' ' 87' ' ' HIS . 9.0 t -137.85 -160.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.638 0.256 . . . . 0.0 110.969 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.74 110.16 3.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.819 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.82 ' HB2' ' HA ' ' A' ' 88' ' ' ARG . . . -97.56 34.36 1.85 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.814 0.34 . . . . 0.0 111.244 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.1 p -99.5 -114.75 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.808 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.84 72.96 0.17 Allowed Glycine 0 C--N 1.334 0.451 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.517 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 15.2 pt -82.89 -175.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.921 0.391 . . . . 0.0 111.136 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.64 HD22 ' HG2' ' A' ' 100' ' ' MET . 14.9 p30 -68.89 166.88 23.33 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.693 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.2 58.34 2.9 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.806 2.338 . . . . 0.0 112.081 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.21 125.06 0.16 Allowed Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.4 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.64 ' HG2' HD22 ' A' ' 97' ' ' ASN . 2.7 ptm -141.81 159.16 42.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 0.0 111.099 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.426 ' O ' ' HE3' ' A' ' 100' ' ' MET . 6.0 mt -89.13 155.95 49.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.559 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.506 ' HB2' HG22 ' A' ' 31' ' ' VAL . 56.6 Cg_endo -70.53 -46.71 0.84 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.474 2.116 . . . . 0.0 113.006 -179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -8.9 58.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.628 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -57.44 -56.44 21.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.88 0.371 . . . . 0.0 110.65 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.565 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 7.5 p30 -59.72 -49.71 76.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.816 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.576 HG13 HG11 ' A' ' 39' ' ' VAL . 31.8 t -51.34 -58.96 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.528 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -55.95 -50.98 69.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.132 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.33 -24.36 67.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.777 ' SD ' HD12 ' A' ' 43' ' ' LEU . 3.6 tpp -62.46 -58.35 7.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.997 0.427 . . . . 0.0 110.55 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.504 ' O ' HG22 ' A' ' 113' ' ' ILE . 11.1 mtp180 -55.82 -26.9 48.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.529 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 t -60.35 -40.21 89.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.571 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.706 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -63.77 -35.8 81.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.809 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 110' ' ' ARG . 1.1 tp -66.82 -32.25 57.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.801 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 110' ' ' ARG . 14.9 p -58.22 -52.0 67.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.037 0.446 . . . . 0.0 110.144 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -70.68 -49.0 51.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.441 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.48 ' CD1' HD13 ' A' ' 72' ' ' LEU . 27.1 m95 -58.34 -57.62 12.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.7 t -52.45 -42.28 64.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.71 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -61.1 -32.48 72.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.536 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.0 ttt -75.2 -37.98 60.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.762 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -50.24 -41.84 50.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.038 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -85.24 -40.23 16.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.42 -57.95 8.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.733 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.2 tp -56.87 -45.49 82.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -57.85 -47.18 83.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.989 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -66.7 -42.94 85.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.09 94.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.431 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 7.0 ttm -57.74 -44.79 86.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 151.0 45.88 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.548 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 130' ' ' HIS . 33.6 mt -132.79 158.01 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 111.076 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.478 ' N ' HG22 ' A' ' 129' ' ' ILE . 7.1 m80 -132.48 129.31 39.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -92.68 149.07 21.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.057 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.489 ' O ' HD12 ' A' ' 133' ' ' ILE . 1.5 t0 -150.14 79.96 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.752 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.489 HD12 ' O ' ' A' ' 132' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.057 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.774 0.321 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -85.5 -176.4 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.79 HG23 HD22 ' A' ' 36' ' ' LEU . 1.2 m -94.26 167.05 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.844 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.629 HG23 ' H ' ' A' ' 35' ' ' GLN . 4.8 t -73.42 160.17 32.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.92 0.39 . . . . 0.0 111.174 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -57.92 -38.08 75.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.863 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.4 m -67.05 -31.91 72.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.81 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.763 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.5 OUTLIER -78.8 -34.81 45.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.79 HD22 HG23 ' A' ' 31' ' ' VAL . 2.3 mm? -52.78 -48.13 67.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.066 0.46 . . . . 0.0 110.146 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 pp -79.1 -24.29 43.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.588 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.1 t -65.34 -29.77 70.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 35' ' ' GLN . 0.9 OUTLIER -82.58 -40.81 17.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.148 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.517 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -68.68 -20.83 64.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.743 0.306 . . . . 0.0 110.586 179.702 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.408 ' N ' ' HD3' ' A' ' 40' ' ' ARG . 13.5 m80 -81.59 -35.07 30.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 110.837 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -79.97 -34.37 38.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.891 HD13 HG23 ' A' ' 76' ' ' THR . 0.3 OUTLIER -77.26 -49.24 15.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.038 -179.538 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.465 ' HA ' HD11 ' A' ' 80' ' ' LEU . . . -53.09 -49.94 65.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.191 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.34 -49.58 77.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 m -64.35 -28.37 69.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.808 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -69.66 68.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.412 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 174.45 132.76 1.6 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.438 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.617 HD13 ' HB3' ' A' ' 53' ' ' GLN . 46.1 mt -67.03 149.78 98.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.59 0.233 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -60.8 -77.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.451 2.101 . . . . 0.0 112.548 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.53 -79.06 0.14 Allowed 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -57.38 -31.92 66.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.483 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.617 ' HB3' HD13 ' A' ' 49' ' ' LEU . 19.8 mp0 -50.76 -34.11 25.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.111 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.596 ' HA ' HG12 ' A' ' 57' ' ' VAL . 25.9 t-80 -77.71 -43.04 32.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.055 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.48 -22.06 19.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.415 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.408 ' CE2' ' HG ' ' A' ' 123' ' ' LEU . 1.0 OUTLIER -94.51 -51.94 4.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 110.978 -179.752 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.596 HG12 ' HA ' ' A' ' 54' ' ' HIS . 15.0 p -69.38 -9.82 12.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.83 -32.8 3.91 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.38 -9.88 21.78 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -129.85 -62.98 0.93 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.862 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.405 ' CB ' ' HA ' ' A' ' 57' ' ' VAL . . . -41.73 149.93 0.38 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.947 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.0 160.27 40.35 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.749 2.299 . . . . 0.0 112.42 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -30.27 11.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.5 p -61.17 -44.79 96.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.647 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.526 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -68.13 -31.51 71.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.646 179.746 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -77.08 -33.92 57.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.674 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -59.62 -45.23 92.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.777 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -71.14 -27.98 63.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -56.27 -46.94 79.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -73.33 -29.5 62.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -57.89 -65.11 0.69 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.767 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -53.61 -40.63 65.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.739 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.767 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.5 t80 -69.05 -30.18 68.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.766 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.0 p -55.26 -36.37 66.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.036 0.446 . . . . 0.0 110.315 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -24.07 40.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.529 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.891 HG23 HD13 ' A' ' 43' ' ' LEU . 62.5 m -76.38 -34.15 58.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -75.46 -30.91 60.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -37.89 19.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.185 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.466 HG22 ' HA ' ' A' ' 76' ' ' THR . 15.0 t -61.98 -44.72 96.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.763 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' ' 40' ' ' ARG . 56.9 mt -58.36 -46.84 85.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.705 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.43 -42.8 74.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.675 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 54.8 mtm -68.39 -29.16 67.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.676 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.532 ' HB2' ' CE ' ' A' ' 109' ' ' MET . . . -67.55 -52.04 43.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.997 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.465 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 1.9 p30 -87.51 47.49 1.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.014 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.402 ' HE2' ' HB ' ' A' ' 96' ' ' ILE . 1.3 tpp -130.29 -47.03 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.039 0.447 . . . . 0.0 110.948 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -51.84 -24.63 6.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.786 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.629 ' HB2' HG22 ' A' ' 91' ' ' THR . 18.0 m80 -68.11 71.08 0.16 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.941 0.4 . . . . 0.0 110.748 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.817 ' HA ' ' HB2' ' A' ' 93' ' ' ALA . 3.5 mmt180 -56.48 -25.48 51.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.422 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -100.36 -29.76 12.23 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.455 ' CG ' ' HB3' ' A' ' 87' ' ' HIS . 2.8 mmt -91.93 -44.61 8.81 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.629 HG22 ' HB2' ' A' ' 87' ' ' HIS . 6.4 t -105.63 -164.93 1.06 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.827 0.346 . . . . 0.0 111.329 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.79 99.65 2.47 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.724 -0.75 . . . . 0.0 113.029 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.817 ' HB2' ' HA ' ' A' ' 88' ' ' ARG . . . -88.45 34.74 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.629 0.252 . . . . 0.0 111.584 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 96' ' ' ILE . 65.0 m -99.26 -114.51 0.16 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.544 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.47 74.74 0.06 OUTLIER Glycine 0 C--N 1.335 0.477 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.356 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 94' ' ' SER . 37.8 pt -119.78 -174.68 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.805 0.336 . . . . 0.0 111.187 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -56.45 164.4 2.03 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -69.18 56.27 1.12 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.835 2.356 . . . . 0.0 112.657 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.98 125.0 0.01 OUTLIER Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.771 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.571 ' HE1' ' HA ' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -139.2 158.44 44.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 110.834 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.515 HD13 ' HE1' ' A' ' 103' ' ' HIS . 1.1 mt -72.34 136.4 81.45 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.571 ' HA ' ' HE1' ' A' ' 100' ' ' MET . 44.1 Cg_exo -56.11 -19.62 27.61 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.531 2.154 . . . . 0.0 112.75 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.515 ' HE1' HD13 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -98.31 -9.01 26.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.698 -179.606 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.75 -28.27 69.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.934 0.397 . . . . 0.0 110.745 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.401 ' OD1' HG13 ' A' ' 106' ' ' VAL . 3.3 p30 -79.05 -51.76 9.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.221 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.574 HG12 HG21 ' A' ' 39' ' ' VAL . 22.4 m -57.89 -28.31 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.736 0.303 . . . . 0.0 111.156 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -68.43 -57.1 6.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.324 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.87 -19.15 65.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.415 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.698 ' HG2' HG12 ' A' ' 39' ' ' VAL . 6.6 tpp -59.8 -66.02 0.58 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.735 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.767 ' O ' HG23 ' A' ' 114' ' ' THR . 0.6 OUTLIER -56.44 -26.97 55.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.724 179.654 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.33 -34.49 72.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.55 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.605 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -69.81 -45.3 68.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.998 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -60.7 -34.64 59.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.767 HG23 ' O ' ' A' ' 110' ' ' ARG . 23.6 p -58.38 -49.84 75.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.082 0.468 . . . . 0.0 110.014 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -73.34 -46.68 47.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.484 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.514 ' CD1' HD13 ' A' ' 72' ' ' LEU . 38.2 m95 -59.94 -54.93 40.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.791 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 54.8 m -52.74 -43.37 65.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.772 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -60.1 -37.86 81.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.595 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.9 ttt -63.33 -36.71 84.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.535 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -55.08 -43.52 74.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.663 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -80.9 -48.16 12.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.014 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.06 -59.46 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.308 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.576 HD21 ' HB ' ' A' ' 57' ' ' VAL . 8.5 tp -53.05 -38.36 62.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -62.96 -47.21 84.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -59.86 -51.56 69.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.73 71.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.4 ' HG3' ' CB ' ' A' ' 56' ' ' PHE . 13.4 ttm -63.23 -46.68 85.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.716 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 150.72 41.31 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.475 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 130' ' ' HIS . 22.6 mt -130.66 158.75 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 111.128 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.485 ' N ' HG22 ' A' ' 129' ' ' ILE . 42.2 m80 -138.47 108.58 6.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -69.08 154.29 42.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -141.04 86.05 2.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.128 179.92 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.806 0.336 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.83 -178.0 6.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.827 HG23 HD22 ' A' ' 36' ' ' LEU . 3.1 m -70.75 162.25 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.044 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.669 HG23 ' H ' ' A' ' 35' ' ' GLN . 4.0 t -73.01 169.71 16.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.173 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -38.79 92.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.577 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.0 m -65.56 -35.06 79.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.493 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.675 ' O ' HG23 ' A' ' 39' ' ' VAL . 4.4 tt0 -72.18 -38.29 69.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.521 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.827 HD22 HG23 ' A' ' 31' ' ' VAL . 1.9 mm? -52.91 -48.53 67.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.049 0.452 . . . . 0.0 110.141 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.454 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 3.4 pp -81.02 -18.0 48.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.741 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.4 t -73.8 -23.66 59.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.847 0.356 . . . . 0.0 110.598 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.958 HG12 ' HG2' ' A' ' 109' ' ' MET . 22.5 t -87.69 -35.46 8.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.407 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -75.29 -30.4 60.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.103 179.175 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -70.93 -37.06 72.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.106 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -77.64 -30.19 52.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.888 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.88 HD11 ' HB3' ' A' ' 112' ' ' ALA . 0.3 OUTLIER -81.3 -50.63 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 -179.623 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.498 ' HA ' HD11 ' A' ' 80' ' ' LEU . . . -53.79 -45.37 70.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.9 0.381 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -59.55 -47.74 84.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -70.62 -26.33 63.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.813 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -73.94 73.55 1.64 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.072 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.411 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 167.64 142.79 3.57 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.548 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.705 HD13 ' HA ' ' A' ' 54' ' ' HIS . 4.6 mt -75.68 122.98 88.17 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.401 0.143 . . . . 0.0 110.773 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.39 -69.15 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.263 1.975 . . . . 0.0 112.428 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -148.46 -80.71 0.13 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.731 0.3 . . . . 0.0 111.521 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -65.74 -28.37 68.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.547 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.738 ' O ' HG12 ' A' ' 57' ' ' VAL . 16.0 mp0 -50.06 -31.67 13.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.281 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.705 ' HA ' HD13 ' A' ' 49' ' ' LEU . 32.7 t-80 -79.04 -51.42 9.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.32 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -45.6 -28.14 0.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.185 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.429 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 5.8 t80 -93.47 -59.25 2.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.341 . . . . 0.0 111.247 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.744 ' HB ' HD21 ' A' ' 123' ' ' LEU . 12.1 p -58.98 -14.36 4.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.451 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 0.3 OUTLIER -117.9 -28.66 5.87 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.117 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.87 -9.79 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -124.32 -65.24 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' PHE . . . -41.0 149.94 0.32 Allowed Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.101 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.32 160.33 39.22 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.888 2.392 . . . . 0.0 112.378 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.415 ' HG2' ' N ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -47.84 -28.38 2.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.176 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.415 ' N ' ' HG2' ' A' ' 63' ' ' GLN . 73.7 p -59.31 -47.15 86.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.072 0.463 . . . . 0.0 110.629 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.641 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -76.87 -28.76 55.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.984 179.786 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' A' ' 69' ' ' TYR . 3.7 mtp180 -75.43 -51.66 12.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.562 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -57.84 -33.65 68.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.655 0.264 . . . . 0.0 111.178 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.537 ' HD3' HD22 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -74.28 -28.57 61.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.86 0.362 . . . . 0.0 110.725 179.617 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.671 ' CE2' HD11 ' A' ' 49' ' ' LEU . 6.4 t80 -55.8 -51.72 66.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.795 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -66.03 -34.18 77.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.985 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -60.63 -62.65 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.021 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.821 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -56.54 -37.83 71.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.821 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.0 t80 -74.18 -29.83 61.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.4 t -53.13 -44.89 68.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.953 0.406 . . . . 0.0 110.657 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.644 ' O ' HG23 ' A' ' 79' ' ' THR . 3.9 m-70 -73.24 -37.66 66.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.578 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.813 HG21 ' CB ' ' A' ' 47' ' ' ALA . 57.8 m -54.42 -37.95 65.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -68.31 -57.41 5.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.218 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.73 -28.46 69.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.222 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 75' ' ' HIS . 16.8 p -66.77 -55.91 12.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.369 . . . . 0.0 110.795 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.498 HD11 ' HA ' ' A' ' 44' ' ' ALA . 41.3 mt -53.47 -32.95 52.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.33 -38.46 89.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.4 ' HE3' ' HA ' ' A' ' 105' ' ' ASN . 47.1 mtm -69.91 -30.42 67.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.427 ' CB ' ' HB3' ' A' ' 40' ' ' ARG . . . -80.26 -35.46 35.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -92.51 40.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.902 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.74 ' HE1' HG23 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -130.2 -41.24 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -44.78 -28.89 0.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.803 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.68 ' HB2' HG22 ' A' ' 91' ' ' THR . 0.1 OUTLIER -85.62 53.33 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.784 0.326 . . . . 0.0 110.836 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.7 -32.44 69.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 0.0 110.661 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.45 -57.01 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.736 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.0 mtm -62.25 -61.41 2.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.799 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.68 HG22 ' HB2' ' A' ' 87' ' ' HIS . 3.6 t -111.74 147.37 35.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.787 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.77 80.0 0.9 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.259 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.401 ' HB2' ' HA ' ' A' ' 85' ' ' MET . . . -55.47 -71.64 0.08 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.807 0.337 . . . . 0.0 111.344 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.457 ' N ' ' HE3' ' A' ' 85' ' ' MET . 0.1 OUTLIER 179.67 -164.51 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -110.32 77.99 0.23 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.427 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.74 HG23 ' HE1' ' A' ' 85' ' ' MET . 27.0 pt -96.9 -170.26 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.756 0.312 . . . . 0.0 111.153 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.443 ' HB2' ' CD ' ' A' ' 98' ' ' PRO . 13.6 p30 -47.25 171.08 0.08 OUTLIER Pre-proline 0 C--N 1.332 -0.174 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.694 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.443 ' CD ' ' HB2' ' A' ' 97' ' ' ASN . 22.5 Cg_exo -65.5 54.85 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.623 2.215 . . . . 0.0 112.96 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 97' ' ' ASN . . . 69.28 118.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.044 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.483 ' HE1' ' HA ' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -89.66 165.37 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 179.466 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.61 HD13 ' HE1' ' A' ' 103' ' ' HIS . 0.6 OUTLIER -63.65 128.14 92.34 Favored Pre-proline 0 C--N 1.329 -0.283 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.582 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.704 ' O ' HD11 ' A' ' 36' ' ' LEU . 31.5 Cg_exo -59.86 -8.64 8.05 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.919 2.413 . . . . 0.0 113.929 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.61 ' HE1' HD13 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -98.82 -9.05 24.87 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.667 -179.738 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -64.2 -52.56 58.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.848 0.356 . . . . 0.0 110.734 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.414 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 10.7 p30 -64.01 -33.8 76.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 38.7 t -55.74 -67.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.324 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -52.61 -39.1 61.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.972 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.448 ' CG ' HG22 ' A' ' 79' ' ' THR . 1.2 t0 -70.04 -30.91 68.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.958 ' HG2' HG12 ' A' ' 39' ' ' VAL . 22.7 tpp -59.77 -58.53 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.15 0.5 . . . . 0.0 110.409 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.403 ' O ' HG22 ' A' ' 113' ' ' ILE . 3.0 mtp180 -55.09 -27.66 46.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.598 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.7 -41.03 80.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.052 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.88 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -67.46 -49.82 61.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.742 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.413 ' HB ' HD23 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -62.69 -25.83 39.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.796 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 87.6 m -61.49 -40.5 94.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.029 0.442 . . . . 0.0 110.029 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -85.03 -40.67 16.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.397 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.482 ' CD1' HD13 ' A' ' 72' ' ' LEU . 43.4 m95 -64.85 -47.26 78.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.586 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.4 m -57.03 -50.33 73.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.341 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -58.19 -29.84 65.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.239 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.468 ' HG3' HD13 ' A' ' 123' ' ' LEU . 12.9 ttm -69.09 -44.18 73.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.433 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -48.99 -39.53 27.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.801 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.444 ' OE2' HD13 ' A' ' 133' ' ' ILE . 75.8 mt-10 -82.77 -41.96 18.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.819 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.73 -60.02 3.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.1 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.744 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.1 tp -51.32 -45.69 62.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -62.91 -41.4 99.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.803 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -68.9 -48.33 63.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.72 -49.8 76.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.429 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 11.8 ttm -52.56 -34.26 49.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 129.04 46.32 0.18 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.588 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 130' ' ' HIS . 22.2 mt -130.03 159.65 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.477 ' N ' HG22 ' A' ' 129' ' ' ILE . 2.2 t-80 -130.15 129.75 43.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -135.46 152.0 50.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -137.33 84.18 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.444 HD13 ' OE2' ' A' ' 121' ' ' GLU . 3.9 mp . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.817 0.341 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -109.87 174.98 5.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.086 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.666 HG23 ' CD2' ' A' ' 36' ' ' LEU . 2.5 m -57.38 178.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.265 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.467 ' O ' HD23 ' A' ' 36' ' ' LEU . 1.4 p -83.34 162.69 21.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.956 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -60.9 -42.03 97.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.424 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 t -66.66 -23.78 66.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.486 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -40.13 47.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.615 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.666 ' CD2' HG23 ' A' ' 31' ' ' VAL . 4.3 mm? -52.9 -46.07 67.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.109 0.48 . . . . 0.0 109.913 179.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 pp -81.25 -25.65 36.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.584 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.4 t -59.32 -39.69 83.91 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.989 0.423 . . . . 0.0 110.549 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.402 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 38.6 t -78.16 -34.31 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.906 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.63 ' HA ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -68.2 -28.43 67.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.422 179.647 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -72.67 -37.86 67.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.667 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 2.0 pp0? -79.63 -30.58 41.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.046 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.866 ' CD1' HG23 ' A' ' 76' ' ' THR . 0.3 OUTLIER -77.79 -67.68 0.7 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.822 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 1.15 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -45.25 -48.19 12.82 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.794 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -53.85 -57.64 10.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.121 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.9 m -62.72 -27.52 69.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.553 ' HB1' ' CE1' ' A' ' 73' ' ' TYR . . . -71.16 64.72 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.203 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.476 ' N ' ' CZ3' ' A' ' 116' ' ' TRP . . . 179.7 109.6 0.26 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.787 HD23 ' CE2' ' A' ' 69' ' ' TYR . 2.9 mm? -60.35 146.89 83.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.565 0.221 . . . . 0.0 110.585 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -60.99 -82.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.491 2.127 . . . . 0.0 112.388 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -148.25 -67.9 0.23 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.755 0.312 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -58.82 -35.54 73.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.99 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.561 ' HB3' HD12 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -57.88 -38.0 74.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.003 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.684 ' HA ' HG12 ' A' ' 57' ' ' VAL . 29.6 t-80 -80.26 -33.98 37.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.034 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.53 -18.57 53.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.425 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.405 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 1.2 t80 -98.83 -49.27 4.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.72 0.295 . . . . 0.0 111.113 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.969 HG23 HD12 ' A' ' 65' ' ' LEU . 14.5 p -65.88 -9.99 9.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.5 p -123.97 -37.81 2.55 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.55 -9.84 39.75 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -130.19 -64.04 0.87 Allowed 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.744 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.96 149.96 0.32 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.05 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.28 160.3 45.31 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.763 2.309 . . . . 0.0 112.512 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.91 -28.59 3.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.22 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.1 m -60.8 -47.25 87.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.694 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.969 HD12 HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -77.78 -32.34 52.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.606 179.758 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -62.59 -53.07 60.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 68' ' ' ARG . 28.1 p30 -60.17 -31.74 70.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.91 0.386 . . . . 0.0 110.203 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.454 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 1.1 ttt180 -66.48 -30.78 71.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.177 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.787 ' CE2' HD23 ' A' ' 49' ' ' LEU . 7.6 t80 -60.05 -57.12 14.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.76 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -74.11 -29.05 61.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.05 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -61.01 -60.98 2.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.802 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -58.14 -36.68 73.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.802 ' N ' HD12 ' A' ' 72' ' ' LEU . 8.0 t80 -74.79 -31.7 61.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.49 -41.95 63.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.983 0.42 . . . . 0.0 110.508 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -75.26 -31.68 60.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.427 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.866 HG23 ' CD1' ' A' ' 43' ' ' LEU . 52.7 m -64.71 -42.15 95.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.953 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -62.5 -51.81 65.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.382 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.403 ' HD2' HG23 ' A' ' 79' ' ' THR . 0.0 OUTLIER -66.57 -35.07 79.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.64 -179.382 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.557 HG22 ' CB ' ' A' ' 108' ' ' ASP . 1.1 p -59.36 -55.76 30.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.704 0.287 . . . . 0.0 111.169 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 1.15 HD13 ' HB2' ' A' ' 44' ' ' ALA . 19.6 mt -55.97 -34.67 65.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -57.18 -33.1 67.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.513 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.46 ' HB3' ' HE3' ' A' ' 100' ' ' MET . 22.1 mtp -77.73 -27.25 50.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.571 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.429 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . . . -81.86 -38.62 25.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.805 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -92.54 45.65 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.678 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.664 ' CE ' HD11 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -130.06 -41.85 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.15 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -48.35 -27.73 2.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.348 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.724 ' HB2' HG22 ' A' ' 91' ' ' THR . 1.2 m80 -81.2 60.05 4.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.78 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.57 -30.0 68.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.018 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -81.11 -56.21 4.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.993 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 4.2 mtm -57.66 -64.44 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.047 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.724 HG22 ' HB2' ' A' ' 87' ' ' HIS . 3.1 t -109.31 152.8 24.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.97 70.26 1.1 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.399 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.401 ' CB ' ' HA ' ' A' ' 85' ' ' MET . . . -59.4 -65.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 111.163 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.78 -165.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -135.4 69.06 0.53 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.656 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.664 HD11 ' CE ' ' A' ' 85' ' ' MET . 20.2 pt -132.26 164.5 34.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.959 0.409 . . . . 0.0 111.178 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -52.77 169.71 0.27 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.941 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 99' ' ' GLY . 6.1 Cg_endo -86.78 28.35 0.54 Allowed 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 123.172 2.582 . . . . 0.0 112.364 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 98' ' ' PRO . . . -20.64 -53.15 0.01 OUTLIER Glycine 0 C--N 1.337 0.625 0 CA-C-N 116.09 -0.505 . . . . 0.0 114.267 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.566 ' HE1' ' O ' ' A' ' 101' ' ' LEU . 2.1 ppp? -101.26 149.84 23.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.849 0.357 . . . . 0.0 111.448 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.566 ' O ' ' HE1' ' A' ' 100' ' ' MET . 47.3 mt -93.16 141.89 24.62 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.812 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.594 ' O ' HD11 ' A' ' 36' ' ' LEU . 75.9 Cg_exo -48.56 -15.02 0.41 Allowed 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.984 2.456 . . . . 0.0 114.081 -179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.463 ' O ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -92.72 -8.67 43.22 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.5 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.487 ' HB2' ' HE2' ' A' ' 100' ' ' MET . 7.7 mt-10 -79.61 -46.32 17.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.764 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.439 ' HB3' ' HB2' ' A' ' 82' ' ' MET . 13.0 p30 -62.49 -41.38 98.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.485 HG23 ' N ' ' A' ' 107' ' ' ASP . 11.2 m -59.48 -45.27 93.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.766 0.317 . . . . 0.0 110.933 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.485 ' N ' HG23 ' A' ' 106' ' ' VAL . 0.4 OUTLIER -65.38 -40.8 93.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.532 179.728 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.557 ' CB ' HG22 ' A' ' 79' ' ' THR . 9.4 m-20 -73.92 -26.5 60.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.813 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.538 ' CG ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -66.99 -58.89 4.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.919 0.39 . . . . 0.0 110.563 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.618 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -54.33 -28.67 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.619 179.57 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.1 m -62.66 -37.94 88.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.458 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.603 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -58.7 -42.96 89.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.78 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.4 OUTLIER -61.87 -27.47 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.735 179.73 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 27.7 m -60.98 -42.01 97.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.995 0.426 . . . . 0.0 110.104 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -82.35 -39.84 22.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.485 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.569 ' CZ3' HD22 ' A' ' 49' ' ' LEU . 29.5 m95 -66.57 -48.86 68.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.767 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.2 t -54.52 -46.3 73.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.527 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -59.31 -34.41 72.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.534 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 1.8 ttt -65.98 -36.96 84.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.611 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -54.59 -48.52 72.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.782 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -83.26 -42.33 17.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.975 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.94 -60.26 3.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.313 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.7 HD21 ' HB ' ' A' ' 57' ' ' VAL . 7.3 tp -54.7 -42.63 71.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -60.33 -49.42 77.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 -59.57 -48.6 81.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.28 75.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 12.5 ttm -60.06 -34.07 72.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 134.26 41.88 0.15 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.546 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 130' ' ' HIS . 24.1 mt -127.52 155.3 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.342 . . . . 0.0 111.1 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.419 ' N ' HG22 ' A' ' 129' ' ' ILE . 3.4 m-70 -141.75 126.02 17.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -79.0 147.45 32.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -144.21 89.52 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.109 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.844 0.354 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -66.97 146.55 54.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.663 HG23 ' CD2' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -55.54 156.05 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.005 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.1 p -58.02 149.42 23.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.194 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.85 -35.92 64.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.815 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.72 -26.63 64.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.478 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.564 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 2.3 tp-100 -72.13 -46.06 58.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.743 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.663 ' CD2' HG23 ' A' ' 31' ' ' VAL . 3.8 mm? -52.87 -46.41 67.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.195 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 pp -81.39 -24.9 36.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.979 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.564 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 0.6 OUTLIER -59.48 -46.24 89.38 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.795 0.331 . . . . 0.0 110.945 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.45 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . 35.6 t -74.18 -37.57 46.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.546 ' NH1' ' CE1' ' A' ' 41' ' ' HIS . 0.0 OUTLIER -64.82 -26.53 68.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.454 179.807 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.546 ' CE1' ' NH1' ' A' ' 40' ' ' ARG . 7.2 m80 -73.5 -36.87 65.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.34 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.45 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 5.9 pt20 -79.51 -31.95 42.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.757 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.917 ' CD1' HG23 ' A' ' 76' ' ' THR . 0.2 OUTLIER -77.64 -66.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.932 -179.787 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.972 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -46.41 -40.86 12.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.49 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -57.68 -57.98 10.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.85 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 31.9 t -65.01 -30.07 71.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.65 ' HB1' ' CE1' ' A' ' 73' ' ' TYR . . . -72.32 68.44 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.6 145.45 6.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.899 HD12 ' HB3' ' A' ' 53' ' ' GLN . 3.2 mm? -105.1 134.12 19.81 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.597 0.237 . . . . 0.0 110.832 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.64 -78.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.421 2.08 . . . . 0.0 112.342 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -148.12 -67.07 0.24 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.842 0.353 . . . . 0.0 111.126 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.29 -35.15 76.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.899 ' HB3' HD12 ' A' ' 49' ' ' LEU . 57.1 mt-30 -58.26 -41.32 83.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.038 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.565 ' HA ' HG12 ' A' ' 57' ' ' VAL . 24.0 t-80 -79.71 -46.96 16.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -54.63 -23.1 15.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.275 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.439 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 1.0 OUTLIER -90.12 -52.42 4.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.99 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.973 HG23 HD12 ' A' ' 65' ' ' LEU . 13.7 p -68.52 -9.83 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.4 p -121.12 -38.9 2.75 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.07 -9.9 35.18 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -128.25 -62.37 1.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.758 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.71 149.95 0.38 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.936 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.99 160.25 48.11 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.779 2.319 . . . . 0.0 112.451 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -49.46 -32.45 12.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.4 m -60.45 -45.07 95.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.732 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.973 HD12 HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -67.87 -34.41 76.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.684 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -70.31 -32.91 70.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.812 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -59.56 -48.22 82.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.813 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -73.79 -25.7 60.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.405 ' OH ' HD23 ' A' ' 49' ' ' LEU . 51.5 t80 -54.75 -62.1 1.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.146 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -70.15 -29.79 66.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.254 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -58.05 -63.89 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.245 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.835 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -54.0 -39.11 65.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.298 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.835 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.0 t80 -74.77 -28.66 60.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.229 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.0 p -52.13 -51.68 56.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.956 0.408 . . . . 0.0 110.557 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.901 ' O ' HG23 ' A' ' 79' ' ' THR . 0.0 OUTLIER -66.18 -37.23 85.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.433 179.5 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.917 HG23 ' CD1' ' A' ' 43' ' ' LEU . 87.9 m -56.05 -48.06 76.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.973 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -60.0 -31.05 69.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -86.19 -32.33 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.981 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.901 HG23 ' O ' ' A' ' 75' ' ' HIS . 81.2 p -62.07 -52.09 65.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.157 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.972 HD13 ' HB2' ' A' ' 44' ' ' ALA . 20.7 mt -62.0 -29.01 69.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.822 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -60.07 4.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.787 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 53.8 mtm -56.37 -26.82 54.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.849 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.628 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . . . -71.03 -54.27 11.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.496 ' O ' HG21 ' A' ' 91' ' ' THR . 1.3 t70 -81.74 49.96 1.43 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.251 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.67 ' HG3' HG21 ' A' ' 96' ' ' ILE . 0.8 OUTLIER -130.55 -47.67 1.06 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.924 0.392 . . . . 0.0 111.041 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 88' ' ' ARG . 2.9 tt0 -61.18 -16.63 46.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.917 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.975 ' HB2' HG22 ' A' ' 91' ' ' THR . 53.4 m80 -66.08 71.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.828 0.347 . . . . 0.0 111.254 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 86' ' ' GLN . 19.2 mtm-85 -55.78 -22.38 24.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.207 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -100.07 -31.32 11.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.808 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.423 ' CG ' ' HB3' ' A' ' 87' ' ' HIS . 5.2 mmt -91.33 -51.53 5.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.617 0.246 . . . . 0.0 111.568 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.975 HG22 ' HB2' ' A' ' 87' ' ' HIS . 12.1 t -111.16 -165.31 0.98 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.792 0.33 . . . . 0.0 111.088 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.89 101.58 2.74 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.67 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -93.0 34.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.721 0.296 . . . . 0.0 111.402 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 96' ' ' ILE . 22.6 p -99.61 -114.48 0.16 Allowed 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.657 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.42 75.93 0.04 OUTLIER Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.429 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.67 HG21 ' HG3' ' A' ' 85' ' ' MET . 10.2 pt -116.02 -175.23 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.821 0.343 . . . . 0.0 111.185 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -47.49 167.68 0.17 Allowed Pre-proline 0 C--N 1.332 -0.156 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.959 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -69.49 53.63 1.01 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.743 2.295 . . . . 0.0 112.572 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 43.91 84.12 0.02 OUTLIER Glycine 0 C--N 1.333 0.41 0 C-N-CA 121.138 -0.553 . . . . 0.0 113.251 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.73 179.98 6.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.69 0.281 . . . . 0.0 110.619 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 10.8 mt -59.89 133.22 89.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.604 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 101' ' ' LEU . 47.8 Cg_exo -56.48 -23.92 50.18 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.554 2.169 . . . . 0.0 112.889 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.493 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -104.54 -8.79 18.78 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.365 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -51.93 -29.89 22.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.874 0.369 . . . . 0.0 111.069 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.66 ' OD1' HG13 ' A' ' 106' ' ' VAL . 6.4 p30 -79.13 -53.73 6.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.383 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.66 HG13 ' OD1' ' A' ' 105' ' ' ASN . 35.5 m -63.62 -46.24 95.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.444 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.496 ' N ' HG23 ' A' ' 106' ' ' VAL . 0.3 OUTLIER -59.1 -55.59 33.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.874 0.368 . . . . 0.0 110.877 -179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.637 ' OD2' HG22 ' A' ' 79' ' ' THR . 1.2 t70 -62.66 -26.08 68.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -50.25 70.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.888 0.375 . . . . 0.0 110.631 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.563 ' O ' HG22 ' A' ' 113' ' ' ILE . 5.6 mtp180 -57.99 -29.54 65.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.618 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.1 m -63.75 -38.8 92.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.746 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.782 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -59.2 -45.43 91.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.035 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.563 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.5 OUTLIER -63.03 -26.53 41.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.911 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 34.5 m -60.21 -40.98 92.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.028 0.442 . . . . 0.0 110.117 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.31 -41.94 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.411 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.521 ' CD1' HD13 ' A' ' 72' ' ' LEU . 41.1 m95 -63.19 -47.77 81.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.655 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 25.8 t -56.58 -49.62 74.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.456 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -59.55 -31.82 69.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.448 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.2 ttt -72.71 -32.9 66.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.519 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -43.82 74.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.56 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -84.0 -35.91 23.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.869 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.24 -59.99 2.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.15 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.492 ' HA ' HD12 ' A' ' 123' ' ' LEU . 5.6 tp -53.88 -44.72 70.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.071 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.701 ' CB ' HD12 ' A' ' 129' ' ' ILE . 6.2 mt-30 -59.24 -49.9 76.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -58.68 -50.47 73.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.014 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.15 -39.73 93.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.439 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 12.0 ttm -59.13 -33.61 71.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 135.04 39.89 0.17 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.575 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.701 HD12 ' CB ' ' A' ' 124' ' ' GLN . 33.0 mt -122.79 156.43 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.778 0.323 . . . . 0.0 111.036 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.445 ' N ' HG22 ' A' ' 129' ' ' ILE . 0.1 OUTLIER -129.5 136.04 49.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.931 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -99.67 152.22 20.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -144.83 89.89 2.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.106 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.787 0.327 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -88.11 -177.4 5.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.843 HG23 HD22 ' A' ' 36' ' ' LEU . 3.6 m -84.79 151.14 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.032 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.514 HG23 ' H ' ' A' ' 35' ' ' GLN . 12.4 t -59.23 160.6 6.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.298 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.1 m -60.5 -29.64 69.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.6 m -67.9 -36.07 79.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.64 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.539 ' OE1' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -77.47 -33.44 54.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.639 179.764 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.843 HD22 HG23 ' A' ' 31' ' ' VAL . 3.3 mm? -52.89 -48.46 67.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.207 0.527 . . . . 0.0 109.909 179.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 pp -81.12 -21.84 39.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.477 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.0 t -58.76 -42.93 90.06 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 120.888 0.375 . . . . 0.0 110.76 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.539 HG23 ' OE1' ' A' ' 35' ' ' GLN . 22.9 t -77.56 -43.12 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.562 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -61.53 -25.15 67.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.518 179.801 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -78.16 -34.38 49.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.827 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -27.95 26.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.806 ' CD1' HG23 ' A' ' 76' ' ' THR . 1.3 tm? -80.59 -54.83 5.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.942 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.675 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -56.7 -50.21 72.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.147 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.83 -44.38 82.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.823 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 t -75.66 -23.23 56.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.535 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -69.94 68.0 0.29 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.019 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.417 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 171.85 173.81 38.93 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.446 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.8 mt -111.02 158.01 37.07 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.594 0.235 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -66.91 -77.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.575 2.183 . . . . 0.0 112.48 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.59 -76.46 0.16 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.87 0.367 . . . . 0.0 111.338 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.68 -40.73 80.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.316 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -27.59 26.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.229 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.635 ' HA ' HG12 ' A' ' 57' ' ' VAL . 18.8 t-80 -86.5 -40.82 14.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.881 0.372 . . . . 0.0 111.009 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -16.71 51.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.437 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -98.09 -35.09 10.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.465 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.882 HG23 HD12 ' A' ' 65' ' ' LEU . 14.8 p -79.06 -9.96 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.13 -41.95 2.3 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.94 -9.78 54.83 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -130.89 -61.03 0.95 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.13 149.9 0.66 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.947 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.38 160.33 35.69 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.916 2.41 . . . . 0.0 112.484 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.42 -30.39 5.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.02 -44.93 96.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.472 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.882 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -70.72 -33.59 71.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.503 179.708 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -74.92 -33.02 61.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.767 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -58.74 -46.02 88.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.937 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -73.32 -33.39 65.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -59.69 -55.3 36.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -70.01 -29.98 67.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.025 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -64.97 -57.7 8.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.041 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.798 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.4 pp -59.34 -31.69 69.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.798 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.0 t80 -79.23 -30.35 43.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.148 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 m -54.55 -54.01 46.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.969 0.414 . . . . 0.0 110.58 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.885 ' O ' HG23 ' A' ' 79' ' ' THR . 40.0 m170 -63.88 -37.52 87.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.442 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.806 HG23 ' CD1' ' A' ' 43' ' ' LEU . 85.8 m -56.23 -43.42 78.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.798 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.43 -36.3 75.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.687 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.66 -36.29 26.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.755 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.885 HG23 ' O ' ' A' ' 75' ' ' HIS . 60.1 p -56.34 -47.76 78.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.675 HD13 ' HB2' ' A' ' 44' ' ' ALA . 5.3 mt -67.81 -37.08 81.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.74 -44.96 70.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.6 mtp -66.69 -27.71 67.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.747 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.01 -60.88 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.53 ' O ' HG21 ' A' ' 91' ' ' THR . 2.6 p30 -82.63 56.62 3.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.414 ' CA ' HG21 ' A' ' 91' ' ' THR . 2.1 tpp -130.21 -48.67 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -55.46 -23.34 24.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.792 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.705 ' HB2' HG22 ' A' ' 91' ' ' THR . 16.5 m80 -67.56 71.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.003 0.43 . . . . 0.0 111.053 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -50.25 -25.06 3.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.689 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -90.45 -41.94 11.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.635 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.407 ' HB2' ' HB3' ' A' ' 87' ' ' HIS . 4.7 mtm -82.0 -53.46 6.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.646 -179.367 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.705 HG22 ' HB2' ' A' ' 87' ' ' HIS . 11.6 t -106.78 -169.47 1.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 0.0 111.11 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.98 98.87 2.34 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.636 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -94.08 34.53 1.24 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.713 0.292 . . . . 0.0 111.266 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 96' ' ' ILE . 15.1 p -99.58 -114.25 0.17 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.785 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.23 78.23 0.01 OUTLIER Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.665 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 94' ' ' SER . 33.2 pt -117.44 -175.1 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.805 0.336 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -51.74 166.74 0.36 Allowed Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.61 56.91 0.98 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.761 2.307 . . . . 0.0 112.358 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 71.77 124.19 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.49 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.52 ' HE3' ' O ' ' A' ' 101' ' ' LEU . 0.2 OUTLIER -133.1 166.55 22.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 0.0 110.81 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.52 ' O ' ' HE3' ' A' ' 100' ' ' MET . 1.1 mt -96.76 135.59 22.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.685 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.425 ' O ' HD11 ' A' ' 36' ' ' LEU . 42.9 Cg_exo -56.59 -23.35 48.04 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.456 2.104 . . . . 0.0 112.686 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.479 ' HE1' HD13 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -91.94 -8.85 45.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.643 -179.652 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -72.13 -29.69 64.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.936 0.398 . . . . 0.0 110.434 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.523 ' OD1' HG13 ' A' ' 106' ' ' VAL . 8.6 p30 -78.4 -47.55 17.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.077 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.523 HG13 ' OD1' ' A' ' 105' ' ' ASN . 22.1 m -58.4 -44.12 87.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.258 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.475 ' N ' HG23 ' A' ' 106' ' ' VAL . 66.1 m-20 -59.95 -50.91 71.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.749 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.578 ' HB3' HG22 ' A' ' 79' ' ' THR . 13.1 m-20 -66.09 -29.28 69.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -48.67 77.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.611 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.445 ' O ' HG22 ' A' ' 113' ' ' ILE . 7.5 mtp180 -57.19 -32.88 66.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.682 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.2 m -60.18 -38.69 83.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.738 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.64 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -60.02 -42.46 94.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.215 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.8 OUTLIER -63.68 -31.8 54.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.353 -179.675 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 110' ' ' ARG . 15.8 p -57.49 -51.81 67.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.021 0.439 . . . . 0.0 110.351 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -71.93 -47.13 54.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.729 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.482 ' CD1' HD13 ' A' ' 72' ' ' LEU . 53.9 m95 -60.27 -54.3 47.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.4 m -54.03 -47.25 71.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.025 0.44 . . . . 0.0 110.58 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -60.41 -32.69 71.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.547 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.4 ttt -73.17 -35.64 66.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.661 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -44.28 63.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.668 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -80.86 -38.81 27.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.047 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.38 -58.68 4.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.196 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.556 HD21 ' HB ' ' A' ' 57' ' ' VAL . 4.9 tp -50.98 -43.74 60.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.574 ' O ' HD12 ' A' ' 129' ' ' ILE . 0.6 OUTLIER -58.37 -40.76 83.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.776 179.872 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -64.91 -54.86 24.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.53 -29.37 69.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 16.5 ttm -64.07 -33.88 76.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 130.88 36.04 0.37 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.799 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.574 HD12 ' O ' ' A' ' 124' ' ' GLN . 2.2 mp -132.82 159.54 43.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.765 0.316 . . . . 0.0 111.017 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.496 ' N ' HG22 ' A' ' 129' ' ' ILE . 1.7 t-80 -133.39 132.83 41.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -95.98 144.31 26.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.07 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -140.81 87.41 2.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.113 179.902 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.414 ' HB2' ' ND2' ' A' ' 30' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.459 0 CA-C-O 120.78 0.324 . . . . 0.0 111.258 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.414 ' ND2' ' HB2' ' A' ' 29' ' ' ASP . 1.3 m-80 -142.46 134.89 27.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.977 HG23 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -46.7 170.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.288 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.447 HG22 ' H ' ' A' ' 34' ' ' SER . 5.0 m -57.6 127.19 30.78 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.709 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 p -47.43 -35.27 8.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.287 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.447 ' H ' HG22 ' A' ' 32' ' ' THR . 1.7 m -70.35 -32.84 70.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.434 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.418 ' HA ' ' HB3' ' A' ' 38' ' ' SER . 0.1 OUTLIER -65.7 -43.42 89.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.538 179.705 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.977 HD21 HG23 ' A' ' 31' ' ' VAL . 4.3 mm? -53.01 -50.61 63.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.09 179.424 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.495 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 1.4 pp -81.39 -17.5 48.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.198 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.418 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 34.1 t -67.93 -31.87 71.93 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.743 0.306 . . . . 0.0 111.173 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.435 ' HB ' ' HG2' ' A' ' 109' ' ' MET . 6.0 m -88.32 -37.04 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.334 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.516 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -63.53 -24.76 67.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.954 0.406 . . . . 0.0 110.404 179.492 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.432 ' CD2' HH11 ' A' ' 40' ' ' ARG . 13.8 m80 -84.19 -36.26 22.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.452 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -30.42 30.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.744 ' CD1' HG23 ' A' ' 76' ' ' THR . 0.5 OUTLIER -78.49 -58.68 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.998 -179.651 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.512 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -53.42 -43.04 67.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.359 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -57.38 -47.5 81.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.994 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.407 ' CB ' HD11 ' A' ' 113' ' ' ILE . 2.8 m -74.64 -25.92 59.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.034 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.506 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -68.96 73.65 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.066 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.412 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 162.95 118.87 0.47 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.582 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.736 HD13 ' HB3' ' A' ' 53' ' ' GLN . 22.9 mt -65.67 149.35 97.46 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.676 0.274 . . . . 0.0 110.829 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.09 -82.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.553 2.169 . . . . 0.0 112.446 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.09 -68.45 0.23 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.772 0.32 . . . . 0.0 110.994 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -32.27 71.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.731 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.736 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -62.85 -36.23 82.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.601 ' HA ' HG12 ' A' ' 57' ' ' VAL . 22.8 t-80 -84.19 -39.11 19.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -54.55 -22.52 13.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.431 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.41 ' CE2' ' HG ' ' A' ' 123' ' ' LEU . 1.2 t80 -93.88 -54.41 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.759 0.314 . . . . 0.0 111.214 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.955 HG23 HD12 ' A' ' 65' ' ' LEU . 12.3 p -65.14 -9.96 8.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.445 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 2.1 m -121.94 -28.99 4.35 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.41 -9.83 16.56 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -179.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -127.15 -62.15 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.704 0.288 . . . . 0.0 111.706 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.68 149.96 0.37 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.001 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.91 160.29 46.29 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.813 2.342 . . . . 0.0 112.56 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.404 ' HA ' ' CD ' ' A' ' 66' ' ' ARG . 0.7 OUTLIER -48.85 -29.0 4.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.353 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -59.88 -47.25 86.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.816 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.955 HD12 HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -77.31 -32.01 55.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.719 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.404 ' CD ' ' HA ' ' A' ' 63' ' ' GLN . 9.0 mtt180 -62.28 -53.12 59.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 68' ' ' ARG . 28.4 p30 -60.01 -31.89 70.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.894 0.378 . . . . 0.0 110.233 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.442 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 0.5 OUTLIER -66.43 -30.99 71.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.172 179.07 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -59.76 -65.18 0.72 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.922 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -57.94 -25.56 61.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.272 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -58.37 -68.22 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.249 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.848 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.5 pp -56.57 -36.56 69.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.136 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.848 ' N ' HD12 ' A' ' 72' ' ' LEU . 3.9 t80 -71.84 -29.9 64.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.0 -48.33 73.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.968 0.414 . . . . 0.0 110.511 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -73.14 -21.58 60.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.729 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.744 HG23 ' CD1' ' A' ' 43' ' ' LEU . 19.8 m -76.39 -36.77 57.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.084 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -75.29 -22.7 57.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.373 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.32 -26.85 15.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.506 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.58 HG22 ' HA ' ' A' ' 76' ' ' THR . 11.5 t -75.24 -42.32 55.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.344 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.584 HD21 ' HB3' ' A' ' 43' ' ' LEU . 20.3 mt -57.04 -35.35 69.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.116 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.71 -43.45 98.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.3 mtm -61.39 -21.26 63.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.209 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.702 ' HB2' ' CE ' ' A' ' 109' ' ' MET . . . -76.1 -40.09 53.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.763 0.316 . . . . 0.0 111.157 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.44 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 2.0 t0 -86.97 43.74 1.12 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.322 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 28.7 mtp -130.55 -44.78 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.992 0.425 . . . . 0.0 111.038 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.403 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 10.4 tp-100 -52.43 -27.37 15.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.218 -179.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.579 ' HB2' HG22 ' A' ' 91' ' ' THR . 11.6 m80 -67.27 71.38 0.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.94 0.4 . . . . 0.0 111.248 -179.484 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.516 ' HA ' ' HB2' ' A' ' 93' ' ' ALA . 5.9 mtm-85 -48.06 -24.63 1.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.941 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -99.24 -51.83 3.7 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.462 ' HB2' ' HB3' ' A' ' 87' ' ' HIS . 0.2 OUTLIER -69.07 -34.41 75.1 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -179.14 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.579 HG22 ' HB2' ' A' ' 87' ' ' HIS . 7.3 t -119.73 -173.0 2.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.839 0.352 . . . . 0.0 111.143 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -95.01 102.29 2.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.754 . . . . 0.0 113.078 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.516 ' HB2' ' HA ' ' A' ' 88' ' ' ARG . . . -97.34 34.44 1.79 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.869 0.366 . . . . 0.0 110.972 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 96' ' ' ILE . 20.4 p -99.42 -114.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.774 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.23 78.26 0.01 OUTLIER Glycine 0 C--N 1.335 0.513 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.662 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 94' ' ' SER . 20.5 pt -123.38 -175.61 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.863 0.363 . . . . 0.0 111.13 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -50.75 166.27 0.31 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.02 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -71.65 56.87 2.36 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.801 2.334 . . . . 0.0 112.207 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.54 125.2 0.61 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.624 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.407 ' HG2' ' N ' ' A' ' 101' ' ' LEU . 6.2 ttp -131.41 143.16 50.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 110.774 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.407 ' N ' ' HG2' ' A' ' 100' ' ' MET . 14.7 mt -70.47 151.97 95.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.477 ' HB2' HG22 ' A' ' 31' ' ' VAL . 59.4 Cg_endo -72.36 -39.32 2.92 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.667 2.244 . . . . 0.0 112.801 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.36 -8.83 59.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.709 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.4 ' CG ' ' HB2' ' A' ' 101' ' ' LEU . 1.6 mm-40 -52.15 -58.01 7.87 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.933 0.397 . . . . 0.0 110.789 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -60.2 -46.44 89.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.707 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.43 -44.37 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.223 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -56.78 -55.06 39.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.804 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.9 -22.8 64.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.702 ' CE ' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -58.41 -66.07 0.55 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.845 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.444 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -56.82 -30.32 63.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.866 179.842 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.5 t -58.44 -36.25 73.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.66 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.632 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -66.61 -47.54 72.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.727 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.444 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.4 OUTLIER -62.89 -28.33 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.619 179.626 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.7 m -59.69 -38.86 82.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.266 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.507 ' HB3' HD22 ' A' ' 72' ' ' LEU . 3.6 t0 -87.16 -42.04 13.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.324 179.375 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.412 ' CH2' ' HA2' ' A' ' 48' ' ' GLY . 56.2 m95 -62.21 -49.77 74.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.488 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.4 t -58.17 -49.73 76.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.366 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -60.75 -32.62 71.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.431 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.61 ' HG2' HD22 ' A' ' 123' ' ' LEU . 3.3 ttt -65.37 -43.98 89.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.682 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -52.27 -39.77 60.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.816 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -83.05 -34.91 26.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.63 -59.38 2.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.664 HD21 ' HB ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER -52.73 -44.12 66.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.977 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -57.9 -36.29 72.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -74.12 -45.72 47.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.84 81.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.078 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 11.8 ttm -60.14 -49.38 77.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 157.65 42.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.534 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 130' ' ' HIS . 37.2 mt -132.93 158.79 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.121 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.489 ' N ' HG22 ' A' ' 129' ' ' ILE . 1.8 t-80 -110.65 127.98 55.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -70.38 155.05 41.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.695 ' O ' HD12 ' A' ' 133' ' ' ILE . 13.8 m-20 -149.81 79.9 1.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.784 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.695 HD12 ' O ' ' A' ' 132' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.017 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.85 0.357 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -84.61 -173.1 4.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.88 HG23 HD22 ' A' ' 36' ' ' LEU . 1.6 m -104.35 179.67 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.723 HG23 ' H ' ' A' ' 35' ' ' GLN . 4.9 t -78.5 168.91 19.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.114 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.34 -37.89 89.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.801 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.3 m -65.88 -39.82 91.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.594 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.723 ' H ' HG23 ' A' ' 32' ' ' THR . 0.5 OUTLIER -68.08 -38.03 81.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.56 179.701 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.88 HD22 HG23 ' A' ' 31' ' ' VAL . 2.0 mm? -52.98 -51.03 62.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.187 0.518 . . . . 0.0 110.082 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.489 ' C ' HD12 ' A' ' 37' ' ' LEU . 3.2 pp -80.98 -15.51 56.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.967 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.411 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 31.3 t -71.13 -27.59 63.68 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-O 120.828 0.347 . . . . 0.0 110.699 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 35' ' ' GLN . 14.4 t -88.05 -37.75 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.773 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.488 ' HB3' ' HE3' ' A' ' 109' ' ' MET . 0.0 OUTLIER -69.69 -28.89 66.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.301 179.476 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -75.79 -36.54 59.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.324 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.0 -31.07 31.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.815 HD11 HG23 ' A' ' 76' ' ' THR . 2.0 tm? -78.48 -57.22 3.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.548 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -54.41 -39.55 67.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.231 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.04 -49.91 76.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.37 -28.53 64.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.493 ' HB1' ' CE1' ' A' ' 73' ' ' TYR . . . -67.15 75.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.111 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.446 ' N ' ' CZ3' ' A' ' 116' ' ' TRP . . . 162.97 128.17 0.93 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.544 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.434 HD13 ' HB3' ' A' ' 53' ' ' GLN . 74.5 mt -71.8 146.12 90.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.645 0.259 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.72 -79.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.631 2.221 . . . . 0.0 112.51 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.09 -73.11 0.2 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.754 0.312 . . . . 0.0 110.973 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.43 -30.75 67.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.434 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -61.9 -30.57 70.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.429 ' HA ' HG12 ' A' ' 57' ' ' VAL . 28.9 t-80 -85.57 -37.61 19.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -60.21 -18.43 48.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.451 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.429 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 0.7 OUTLIER -94.71 -55.98 2.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.724 0.297 . . . . 0.0 111.096 -179.713 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.962 HG23 HD12 ' A' ' 65' ' ' LEU . 10.5 p -63.89 -10.43 7.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.7 p -120.72 -41.33 2.58 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.9 -9.81 41.87 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -126.9 -63.64 1.05 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.697 0.284 . . . . 0.0 111.658 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.48 150.01 0.55 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.852 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.8 160.24 48.47 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.693 2.262 . . . . 0.0 112.312 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.48 -30.25 7.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.8 m -62.17 -46.92 86.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.764 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.962 HD12 HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -65.49 -30.73 71.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.726 179.847 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -73.15 -32.94 65.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -59.86 -48.49 81.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -29.07 69.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.958 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -57.41 -62.37 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -68.2 -25.24 65.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -61.95 2.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.999 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.604 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.4 pp -58.96 -31.94 69.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.06 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.604 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.6 t80 -78.85 -31.55 45.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.965 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.4 t -55.12 -41.39 71.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.49 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.608 ' O ' HG23 ' A' ' 79' ' ' THR . 78.7 m-70 -81.2 -23.23 38.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.727 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.815 HG23 HD11 ' A' ' 43' ' ' LEU . 86.0 m -77.69 -40.94 39.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -69.15 -32.28 71.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.258 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -25.63 32.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.17 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 75' ' ' HIS . 8.5 p -77.74 -42.93 32.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.945 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 43' ' ' LEU . 21.3 mt -55.53 -35.85 66.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.791 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.38 -41.21 96.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.579 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 45.9 mtm -57.96 -37.87 74.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.726 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.495 ' HB2' ' CE ' ' A' ' 109' ' ' MET . . . -61.65 -63.24 1.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.613 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.429 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -84.39 53.81 2.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.987 179.753 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -118.9 -48.24 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.461 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.838 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 7.4 mt-30 -64.0 -92.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.965 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.768 ' HB2' HG22 ' A' ' 91' ' ' THR . 28.2 m80 18.99 71.06 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.21 -11.35 20.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.613 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -92.62 -29.82 15.93 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.424 ' HG2' ' HB3' ' A' ' 87' ' ' HIS . 2.8 ptp -116.5 -36.74 3.88 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.768 HG22 ' HB2' ' A' ' 87' ' ' HIS . 3.2 t -112.59 -173.96 2.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.979 0.418 . . . . 0.0 111.376 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.91 99.68 2.46 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.609 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.838 ' HB2' ' O ' ' A' ' 86' ' ' GLN . . . -91.65 34.53 0.98 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.724 0.297 . . . . 0.0 111.315 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 96' ' ' ILE . 11.1 p -99.47 -114.24 0.16 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.687 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -55.2 82.32 0.01 OUTLIER Glycine 0 C--N 1.338 0.644 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.776 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 94' ' ' SER . 24.6 pt -109.52 -179.25 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.042 0.448 . . . . 0.0 111.384 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.522 ' HB2' ' HD2' ' A' ' 98' ' ' PRO . 12.3 p30 -48.02 166.28 0.21 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.535 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.522 ' HD2' ' HB2' ' A' ' 97' ' ' ASN . 74.3 Cg_endo -83.11 59.05 6.5 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.332 2.021 . . . . 0.0 112.588 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 100.27 125.3 5.48 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.965 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.568 ' HE3' ' O ' ' A' ' 101' ' ' LEU . 2.4 ttp -168.21 141.93 3.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.826 0.346 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.568 ' O ' ' HE3' ' A' ' 100' ' ' MET . 0.9 OUTLIER -83.35 135.55 43.96 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.568 179.681 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.649 ' O ' HD11 ' A' ' 36' ' ' LEU . 61.4 Cg_exo -51.85 -20.63 10.22 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.611 2.208 . . . . 0.0 113.046 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.437 ' NE2' HD13 ' A' ' 101' ' ' LEU . 3.6 p-80 -98.56 -8.87 25.77 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.555 ' CG ' HD12 ' A' ' 101' ' ' LEU . 2.1 mt-10 -60.05 -28.24 67.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.929 0.395 . . . . 0.0 110.768 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.449 ' OD1' HG13 ' A' ' 106' ' ' VAL . 3.4 p30 -78.94 -52.04 8.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.358 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.476 HG23 ' N ' ' A' ' 107' ' ' ASP . 32.5 m -57.83 -45.07 87.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.728 0.299 . . . . 0.0 111.474 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.476 ' N ' HG23 ' A' ' 106' ' ' VAL . 0.3 OUTLIER -62.71 -44.22 96.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.933 0.397 . . . . 0.0 110.761 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.495 ' CG ' HG21 ' A' ' 79' ' ' THR . 1.9 t0 -74.44 -28.27 60.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.495 ' CE ' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -66.97 -60.32 2.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.883 0.373 . . . . 0.0 110.616 179.885 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.504 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -49.62 -34.87 19.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.686 179.69 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.0 m -61.24 -34.61 75.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.452 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.577 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -60.6 -40.39 91.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.718 179.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -63.23 -29.58 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.634 179.736 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 91.2 m -61.09 -38.02 84.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.145 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -84.64 -42.97 14.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.343 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.446 ' CZ3' ' N ' ' A' ' 48' ' ' GLY . 44.7 m95 -63.9 -51.66 63.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.423 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.6 m -54.33 -44.79 72.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.367 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -60.84 -32.87 72.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.363 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.5 ttt -68.41 -37.11 80.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.562 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.449 ' O ' ' NE2' ' A' ' 124' ' ' GLN . 5.0 mtm180 -54.96 -41.71 71.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.596 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.0 -42.56 17.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.921 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.92 -59.9 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.56 HD21 ' HB ' ' A' ' 57' ' ' VAL . 6.3 tp -53.21 -42.58 66.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 120' ' ' ARG . 13.7 mt-30 -58.74 -49.68 76.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -60.29 -51.41 69.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.23 -35.97 78.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.999 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 30.7 ttm -58.34 -27.8 64.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 132.14 32.98 0.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.621 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 130' ' ' HIS . 24.2 mt -123.06 159.68 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.34 . . . . 0.0 110.996 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.471 ' N ' HG22 ' A' ' 129' ' ' ILE . 39.1 m80 -137.27 123.17 20.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.99 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.29 146.65 50.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.01 87.09 1.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.2 mp . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.104 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.818 0.342 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -124.46 142.06 51.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.974 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.701 HG23 ' CD2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -49.24 173.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.819 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.702 HG23 ' H ' ' A' ' 35' ' ' GLN . 12.0 t -66.45 143.68 56.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.09 -30.72 49.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.264 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -68.9 -33.63 74.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.702 ' H ' HG23 ' A' ' 32' ' ' THR . 6.2 tp-100 -69.4 -42.32 75.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.814 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.701 ' CD2' HG23 ' A' ' 31' ' ' VAL . 4.4 mm? -52.92 -49.5 65.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.085 0.469 . . . . 0.0 110.104 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.447 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 2.5 pp -80.99 -16.81 52.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.03 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.41 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 36.7 t -66.88 -28.23 68.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.81 0.338 . . . . 0.0 110.721 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.748 HG11 HG13 ' A' ' 106' ' ' VAL . 6.1 m -90.93 -38.21 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.621 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -65.14 -26.21 68.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.897 0.379 . . . . 0.0 110.112 179.335 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -84.44 -34.66 23.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.497 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -79.8 -35.65 38.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 -179.862 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.85 HD13 HG23 ' A' ' 76' ' ' THR . 0.0 OUTLIER -72.3 -64.44 0.95 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.853 0.358 . . . . 0.0 110.891 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.04 -37.2 20.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.484 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -58.39 -47.88 82.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.597 ' CB ' HD11 ' A' ' 113' ' ' ILE . 0.3 OUTLIER -78.67 -27.85 45.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.998 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 48' ' ' GLY . . . -65.03 -163.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.508 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 33.97 102.51 0.01 OUTLIER Glycine 0 CA--C 1.522 0.528 0 CA-C-N 115.981 -0.554 . . . . 0.0 114.224 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.905 HD22 ' CZ3' ' A' ' 116' ' ' TRP . 2.2 mm? -50.5 163.47 0.46 Allowed Pre-proline 0 N--CA 1.463 0.214 0 O-C-N 122.842 -0.211 . . . . 0.0 110.599 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.458 ' HD2' HD12 ' A' ' 49' ' ' LEU . 41.8 Cg_endo -69.44 -87.23 0.0 OUTLIER 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.363 2.042 . . . . 0.0 112.537 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.18 -67.77 0.24 Allowed 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.831 0.348 . . . . 0.0 111.123 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -56.17 -37.92 70.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.108 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.428 ' O ' HG12 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -55.08 -25.72 33.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.671 ' HA ' HG12 ' A' ' 57' ' ' VAL . 26.8 t-80 -82.19 -40.81 21.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.874 0.369 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -56.93 -21.24 28.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.497 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -97.44 -50.29 4.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.739 0.304 . . . . 0.0 111.307 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.026 HG23 HD12 ' A' ' 65' ' ' LEU . 13.9 p -65.82 -9.96 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.6 t -122.18 -37.96 2.76 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.41 -9.73 40.6 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -130.64 -63.27 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.863 0.319 . . . . 0.0 111.863 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.479 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -41.62 151.17 0.32 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.12 -179.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.68 160.38 46.52 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.803 2.335 . . . . 0.0 112.549 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -46.12 -42.22 13.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.329 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.93 -35.13 63.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.985 0.422 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.026 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -82.53 -29.22 30.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.791 179.711 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -77.02 -53.08 8.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.51 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -59.73 -35.77 75.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.072 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -72.59 -28.37 62.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.799 0.333 . . . . 0.0 110.77 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.797 ' CE2' HD23 ' A' ' 49' ' ' LEU . 7.3 t80 -56.55 -59.99 4.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -71.34 -28.49 64.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.164 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -58.46 -64.19 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.017 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.812 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.2 pp -55.93 -29.86 60.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.812 ' N ' HD12 ' A' ' 72' ' ' LEU . 8.4 t80 -78.57 -35.7 45.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.4 m -49.15 -43.9 42.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.895 0.379 . . . . 0.0 110.43 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.796 ' O ' HG23 ' A' ' 79' ' ' THR . 2.1 t-160 -73.32 -33.65 65.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.101 179.217 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.85 HG23 HD13 ' A' ' 43' ' ' LEU . 99.8 m -66.58 -55.37 15.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.629 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.435 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 2.0 mt-30 -50.09 -36.28 28.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.236 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.35 -44.72 24.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 75' ' ' HIS . 41.1 p -55.45 -28.2 52.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.961 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' A' ' 40' ' ' ARG . 18.2 mt -75.2 -32.17 61.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.693 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -64.05 -48.4 76.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.576 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.2 mtp -61.11 -19.14 61.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.875 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.576 ' HB2' ' HE2' ' A' ' 109' ' ' MET . . . -95.31 23.87 5.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.523 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -142.58 22.74 1.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.695 0.283 . . . . 0.0 111.198 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.736 ' HG3' HG22 ' A' ' 96' ' ' ILE . 2.8 tpt -130.39 -34.4 1.6 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.425 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -53.05 -23.28 7.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.434 ' H ' ' CD2' ' A' ' 87' ' ' HIS . 13.6 m-70 -70.77 71.27 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 111.437 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -67.31 -12.31 59.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.428 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -100.16 -32.89 10.68 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.441 ' HE2' ' HB2' ' A' ' 90' ' ' MET . 0.2 OUTLIER -100.27 -54.63 2.82 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.684 ' O ' HG23 ' A' ' 91' ' ' THR . 15.3 t -157.9 74.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.048 0.451 . . . . 0.0 111.48 -179.296 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 85' ' ' MET . . . 174.83 44.71 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.379 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -110.57 30.42 6.83 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.95 0.405 . . . . 0.0 111.18 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.599 ' O ' HG23 ' A' ' 96' ' ' ILE . 1.5 m -127.27 -159.33 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.422 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -54.15 91.11 0.01 OUTLIER Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.419 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.736 HG22 ' HG3' ' A' ' 85' ' ' MET . 25.3 pt -91.62 -178.86 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 111.37 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -58.45 167.12 1.87 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.958 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -74.41 55.46 3.63 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.903 2.402 . . . . 0.0 112.405 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 57.3 107.94 0.01 OUTLIER Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.876 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.41 ' CE ' ' O ' ' A' ' 101' ' ' LEU . 1.1 ptt? -138.04 -179.74 5.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.769 0.318 . . . . 0.0 110.757 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.486 HD12 ' HG2' ' A' ' 104' ' ' GLU . 3.6 mt -78.78 146.81 69.57 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.759 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.93 -39.93 3.88 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.501 2.134 . . . . 0.0 112.731 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.52 -8.67 58.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.698 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.486 ' HG2' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -44.24 -63.24 0.92 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.843 0.354 . . . . 0.0 111.219 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -59.58 -53.05 62.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.748 HG13 HG11 ' A' ' 39' ' ' VAL . 21.6 t -46.3 -61.3 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.588 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.41 -55.83 29.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.078 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.03 -21.29 44.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.361 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.576 ' HE2' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -67.17 -60.27 2.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.877 -179.833 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.515 ' O ' HG22 ' A' ' 113' ' ' ILE . 4.7 ptp85 -52.07 -25.49 8.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.8 t -65.87 -39.96 91.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.128 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.622 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -63.11 -43.28 98.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.662 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.597 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -62.54 -28.69 45.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.707 179.722 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 79.2 m -61.4 -39.23 89.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.069 0.462 . . . . 0.0 110.129 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -86.73 -38.92 16.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.515 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.905 ' CZ3' HD22 ' A' ' 49' ' ' LEU . 37.0 m95 -68.9 -45.88 69.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.015 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 54.6 m -62.21 -43.49 98.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.035 0.445 . . . . 0.0 110.189 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -61.76 -34.27 75.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.417 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.0 ttt -72.26 -36.33 69.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.697 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -51.69 -44.2 63.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.78 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -81.89 -39.65 23.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.01 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.27 -59.44 3.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.189 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.441 HD21 ' HB ' ' A' ' 57' ' ' VAL . 4.8 tp -52.48 -42.48 64.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.227 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.602 ' OE1' HD13 ' A' ' 129' ' ' ILE . 0.0 OUTLIER -60.66 -54.11 49.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.831 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 44.8 m170 -59.75 -45.46 92.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.022 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.88 84.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.266 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 10.2 ttm -58.51 -30.76 67.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 136.42 41.65 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.575 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.602 HD13 ' OE1' ' A' ' 124' ' ' GLN . 12.0 mt -132.33 158.5 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.756 0.312 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.493 ' N ' HG22 ' A' ' 129' ' ' ILE . 31.2 m80 -138.67 111.97 8.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.986 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -106.24 154.54 20.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.075 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -143.07 88.97 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.101 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.819 0.342 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.417 ' HB3' ' HB3' ' A' ' 102' ' ' PRO . 4.4 m-20 -125.17 144.32 50.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.748 HG23 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -51.01 162.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.069 179.742 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.423 HG23 ' H ' ' A' ' 35' ' ' GLN . 1.5 t -61.4 137.44 58.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.712 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.4 m -54.78 -26.37 34.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 82.3 p -70.74 -35.61 72.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.502 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 1.3 tm0? -69.54 -41.89 75.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.014 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.748 HD21 HG23 ' A' ' 31' ' ' VAL . 55.5 mt -52.91 -48.62 67.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.072 0.463 . . . . 0.0 110.385 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 pp -81.15 -22.38 39.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.832 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.502 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 5.7 m -59.69 -33.77 72.02 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.869 0.366 . . . . 0.0 110.492 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.449 ' HB ' ' HG2' ' A' ' 109' ' ' MET . 10.6 m -85.15 -41.78 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.348 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.668 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -59.49 -25.27 64.31 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.141 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.411 ' NE2' ' NH1' ' A' ' 40' ' ' ARG . 4.5 m-70 -78.97 -38.34 37.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.255 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.404 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -81.08 -31.08 34.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.993 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.094 HD13 HG23 ' A' ' 76' ' ' THR . 0.0 OUTLIER -71.67 -64.22 0.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.7 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.42 -37.71 49.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.422 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.84 -57.86 9.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.025 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.2 m -68.57 -28.71 67.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.581 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -67.48 74.36 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.203 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.98 140.36 2.85 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.726 HD13 ' HB3' ' A' ' 53' ' ' GLN . 38.9 mt -82.75 141.71 44.75 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.516 0.198 . . . . 0.0 110.765 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.405 ' HD2' ' HB2' ' A' ' 53' ' ' GLN . 43.9 Cg_exo -55.24 -76.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.285 1.99 . . . . 0.0 112.554 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.61 -72.29 0.2 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.771 0.319 . . . . 0.0 111.52 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.38 -37.04 79.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.422 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.726 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -52.0 -25.86 9.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.275 -179.728 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.597 ' HA ' HG12 ' A' ' 57' ' ' VAL . 22.5 t-80 -86.11 -39.18 17.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.877 0.37 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.31 -17.32 28.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.682 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -98.67 -47.58 5.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.722 0.296 . . . . 0.0 111.214 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.924 HG23 HD12 ' A' ' 65' ' ' LEU . 13.3 p -68.19 -9.93 11.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 93.7 p -123.8 -37.79 2.57 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.92 -9.81 47.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -134.16 -60.55 0.81 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.911 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.405 ' CB ' ' HA ' ' A' ' 57' ' ' VAL . . . -40.65 149.99 0.3 Allowed Pre-proline 0 N--CA 1.463 0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.084 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -73.86 160.33 43.58 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.801 2.334 . . . . 0.0 112.544 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -46.93 -41.87 16.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.231 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.1 p -55.01 -33.12 62.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.031 0.443 . . . . 0.0 110.599 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.924 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -81.11 -33.35 33.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.661 179.693 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -77.01 -53.06 8.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.548 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.7 p30 -58.09 -34.07 69.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.262 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -74.05 -26.96 60.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.845 0.355 . . . . 0.0 110.739 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -57.88 -59.73 4.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.0 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.66 -28.86 70.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.988 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.43 -67.18 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.02 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.828 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.5 pp -54.27 -39.76 67.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.017 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.828 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.2 t80 -68.9 -33.57 73.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.71 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.39 -37.01 55.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.097 0.475 . . . . 0.0 110.268 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.99 -26.81 48.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.569 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . 1.094 HG23 HD13 ' A' ' 43' ' ' LEU . 61.9 m -75.51 -36.47 60.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.187 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.73 -25.4 59.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.447 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.14 -27.26 16.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.603 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 76' ' ' THR . 13.0 t -71.9 -46.89 56.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.345 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.782 HD21 ' HB3' ' A' ' 43' ' ' LEU . 4.8 mt -49.33 -35.26 17.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.851 0.358 . . . . 0.0 110.932 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -55.93 -32.81 64.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.604 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 46.0 mtm -71.01 -24.98 62.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.762 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.835 ' HB2' ' CE ' ' A' ' 109' ' ' MET . . . -76.33 -37.88 56.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.79 46.14 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.91 -63.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.036 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.413 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -34.72 -62.35 0.36 Allowed 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -178.824 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.609 ' O ' HG22 ' A' ' 91' ' ' THR . 0.7 OUTLIER -70.74 57.87 0.2 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.861 0.362 . . . . 0.0 111.144 -179.698 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.591 ' HB2' ' HB2' ' A' ' 93' ' ' ALA . 0.1 OUTLIER -46.5 -28.44 1.4 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.467 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -62.37 -29.99 70.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -109.65 -3.05 17.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.793 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 87' ' ' HIS . 7.9 t -130.27 -139.64 0.22 Allowed 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.41 112.21 4.31 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.591 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.591 ' HB2' ' HB2' ' A' ' 88' ' ' ARG . . . -95.36 34.17 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.729 0.299 . . . . 0.0 111.414 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.572 ' O ' HG23 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -99.78 -172.29 2.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.744 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -51.1 93.4 0.01 OUTLIER Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.679 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.572 HG23 ' O ' ' A' ' 94' ' ' SER . 44.5 pt -94.52 -177.94 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 111.169 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -53.45 165.23 0.7 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.016 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -73.89 57.28 3.79 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.87 2.38 . . . . 0.0 112.194 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.42 125.06 1.47 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.668 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.569 ' HE3' ' O ' ' A' ' 101' ' ' LEU . 3.6 ttp -132.7 141.31 48.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 0.0 110.716 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.583 HD13 ' HE1' ' A' ' 103' ' ' HIS . 15.0 mt -69.99 153.7 95.2 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.417 ' HB3' ' HB3' ' A' ' 30' ' ' ASN . 74.0 Cg_endo -75.34 -36.28 2.44 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.65 2.234 . . . . 0.0 112.72 -179.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.583 ' HE1' HD13 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -87.96 -8.97 54.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.633 -179.671 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.579 ' CG ' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -57.27 -50.48 72.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.968 0.414 . . . . 0.0 110.74 179.823 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -63.37 -37.84 88.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.798 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 26.5 t -68.53 -57.67 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.159 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.55 -49.27 75.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.032 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.07 -24.71 67.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.835 ' CE ' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -68.65 -61.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.826 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.508 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -57.18 -21.39 32.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.976 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.86 -38.13 79.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.925 0.393 . . . . 0.0 110.489 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.737 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -65.15 -45.92 83.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.7 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.6 OUTLIER -62.4 -25.58 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.696 179.61 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 68.9 m -63.03 -38.98 93.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.022 0.439 . . . . 0.0 109.898 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -83.09 -40.07 20.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.253 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.451 ' CD1' HD13 ' A' ' 72' ' ' LEU . 48.8 m95 -67.14 -48.69 67.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.568 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.2 t -54.21 -46.32 72.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.556 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -58.38 -31.8 67.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.385 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.2 ttt -72.86 -31.78 64.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.522 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -55.83 -43.28 76.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.613 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -85.86 -33.86 21.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.884 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.62 -57.83 4.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.689 HD21 ' HB ' ' A' ' 57' ' ' VAL . 5.6 tp -57.5 -45.25 85.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.007 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -58.23 -48.86 79.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.025 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -65.87 -42.22 90.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.1 -38.05 81.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 21.7 ttm -57.4 -51.08 70.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 159.91 39.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.441 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.493 HG22 ' N ' ' A' ' 130' ' ' HIS . 42.1 mt -128.25 158.83 40.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 111.051 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.493 ' N ' HG22 ' A' ' 129' ' ' ILE . 0.0 OUTLIER -115.71 132.6 56.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.773 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.28 143.52 40.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.101 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -137.05 79.94 1.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.554 ' H ' HD12 ' A' ' 133' ' ' ILE . 3.9 mp . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.088 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.1 t70 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.789 0.328 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.418 ' CB ' ' HG2' ' A' ' 102' ' ' PRO . 2.8 m-80 -92.45 -178.42 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.712 HG23 ' CD2' ' A' ' 36' ' ' LEU . 3.2 m -80.83 170.43 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.941 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.649 HG23 ' H ' ' A' ' 35' ' ' GLN . 8.5 t -73.69 162.76 28.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.019 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.8 p -60.33 -37.53 80.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.621 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.9 m -65.83 -30.64 71.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.544 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.649 ' H ' HG23 ' A' ' 32' ' ' THR . 0.7 OUTLIER -77.19 -34.6 56.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.74 179.811 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.767 HD21 ' HB2' ' A' ' 102' ' ' PRO . 1.9 mm? -52.84 -49.14 66.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.132 0.491 . . . . 0.0 109.944 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 pp -79.17 -26.84 42.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.282 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 t -59.61 -32.71 70.66 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.997 0.427 . . . . 0.0 110.432 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.74 HG21 HG12 ' A' ' 106' ' ' VAL . 24.9 t -78.03 -51.47 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.739 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.563 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -59.05 -22.8 61.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.816 0.341 . . . . 0.0 110.264 179.39 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.422 ' CD2' ' NH1' ' A' ' 40' ' ' ARG . 1.9 m-70 -77.55 -33.31 54.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.718 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 1.2 pt20 -81.83 -29.56 32.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.879 HD12 ' HG3' ' A' ' 109' ' ' MET . 0.0 OUTLIER -77.8 -59.68 2.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 -179.81 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.66 -36.55 62.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.367 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.88 -48.49 81.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.9 m -77.9 -26.74 49.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.073 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.47 ' O ' ' O ' ' A' ' 48' ' ' GLY . . . -69.11 -163.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.137 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.528 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 34.16 107.49 0.0 OUTLIER Glycine 0 CA--C 1.522 0.513 0 CA-C-N 115.827 -0.624 . . . . 0.0 114.465 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.701 HD23 ' CE2' ' A' ' 69' ' ' TYR . 2.7 mm? -53.19 150.07 11.9 Favored Pre-proline 0 N--CA 1.462 0.15 0 CA-C-O 120.652 0.263 . . . . 0.0 110.972 179.295 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.39 -81.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.469 2.113 . . . . 0.0 112.184 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.28 -69.91 0.22 Allowed 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.792 0.33 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.34 -30.06 68.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.233 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.453 ' O ' HG12 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -55.22 -27.34 45.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.265 -179.871 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.599 ' HA ' HG12 ' A' ' 57' ' ' VAL . 30.7 t-80 -89.57 -28.5 19.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.173 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -64.61 -20.77 66.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.523 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.426 ' CD2' ' HG3' ' A' ' 127' ' ' MET . 0.0 OUTLIER -99.6 -49.91 4.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.727 0.299 . . . . 0.0 111.12 -179.634 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.911 HG23 HD12 ' A' ' 65' ' ' LEU . 14.4 p -66.42 -9.88 9.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.6 t -121.01 -39.88 2.67 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.01 -9.91 46.87 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.16 0.429 . . . . 0.0 112.16 -179.104 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -129.27 -59.15 1.11 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.716 0.293 . . . . 0.0 111.5 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.402 ' CB ' ' HA ' ' A' ' 57' ' ' VAL . . . -46.52 150.04 1.28 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.649 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.77 160.26 46.63 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -48.75 -36.11 15.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.135 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.1 m -59.32 -38.23 79.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.717 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.911 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -72.74 -34.94 67.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.683 179.755 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -73.41 -32.93 64.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.814 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -60.38 -46.64 89.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.707 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -73.72 -29.09 62.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.701 ' CE2' HD23 ' A' ' 49' ' ' LEU . 10.0 t80 -51.2 -58.09 7.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -75.54 -28.46 59.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.223 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.87 -65.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.088 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.856 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.5 pp -54.12 -37.75 64.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.069 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.856 ' N ' HD12 ' A' ' 72' ' ' LEU . 9.7 t80 -70.38 -31.36 68.57 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.644 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.42 -46.86 63.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.913 0.387 . . . . 0.0 110.282 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -72.26 -23.99 61.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.365 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.725 HG23 HD13 ' A' ' 43' ' ' LEU . 91.6 m -77.75 -53.99 6.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -59.59 -24.35 63.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.574 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.42 -38.36 12.04 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 76' ' ' THR . 12.4 t -63.24 -41.06 99.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.736 0.303 . . . . 0.0 111.04 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.788 HD21 ' HB3' ' A' ' 43' ' ' LEU . 31.4 mt -56.89 -39.92 75.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.921 0.391 . . . . 0.0 110.797 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -45.66 91.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.75 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 50.4 mtm -58.45 -31.62 67.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.688 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.467 ' CB ' ' HE3' ' A' ' 109' ' ' MET . . . -69.28 -56.43 7.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.793 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.583 ' O ' HG21 ' A' ' 91' ' ' THR . 19.0 t70 -84.64 55.14 3.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.742 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.435 ' CG ' HG21 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -130.24 -47.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.15 -25.99 25.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.571 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.672 ' HB2' HG22 ' A' ' 91' ' ' THR . 11.8 m80 -68.29 70.77 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.93 0.395 . . . . 0.0 110.93 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -46.81 -27.33 1.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.609 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -87.48 -52.58 5.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.485 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.3 mtm -68.68 -47.08 67.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.586 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.672 HG22 ' HB2' ' A' ' 87' ' ' HIS . 8.8 t -116.7 -173.3 2.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.866 0.365 . . . . 0.0 110.962 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.75 102.18 2.83 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.588 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -91.07 34.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.717 0.294 . . . . 0.0 111.422 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 96' ' ' ILE . 18.5 p -99.78 -114.38 0.17 Allowed 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.719 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.78 78.41 0.01 OUTLIER Glycine 0 C--N 1.337 0.603 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.442 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 94' ' ' SER . 42.4 pt -115.3 -173.43 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.789 0.328 . . . . 0.0 111.241 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.515 ' ND2' ' HG2' ' A' ' 100' ' ' MET . 14.6 p30 -47.31 169.63 0.11 Allowed Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.429 ' CD ' ' HB2' ' A' ' 97' ' ' ASN . 16.4 Cg_exo -68.14 55.92 0.79 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.69 2.26 . . . . 0.0 112.675 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 63.03 125.16 0.01 OUTLIER Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.949 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.515 ' HG2' ' ND2' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -157.02 151.6 25.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.729 0.299 . . . . 0.0 110.758 179.724 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.437 ' HB2' ' CE1' ' A' ' 103' ' ' HIS . 44.3 mt -80.18 148.54 67.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.727 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.767 ' HB2' HD21 ' A' ' 36' ' ' LEU . 19.5 Cg_endo -61.46 -9.94 14.72 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.746 2.298 . . . . 0.0 113.639 -179.192 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.443 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -91.64 -8.75 46.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.664 0.269 . . . . 0.0 111.437 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.62 -29.81 65.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.904 0.383 . . . . 0.0 110.592 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -79.11 -49.38 12.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.124 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.74 HG12 HG21 ' A' ' 39' ' ' VAL . 36.0 m -52.81 -45.36 50.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.226 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.478 ' N ' HG23 ' A' ' 106' ' ' VAL . 2.9 m-20 -64.08 -49.8 70.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.515 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.73 -24.07 66.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.965 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.879 ' HG3' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -72.21 -53.48 12.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.62 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.475 ' O ' HG22 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -53.92 -25.85 22.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.49 179.497 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -71.08 -38.27 72.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.425 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.698 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -60.54 -46.27 90.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.625 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -61.24 -27.81 42.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.807 179.711 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 25.9 m -59.98 -43.02 95.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.982 0.42 . . . . 0.0 110.252 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.6 -37.14 18.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.602 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.528 ' CH2' ' N ' ' A' ' 48' ' ' GLY . 35.5 m95 -68.44 -43.12 77.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.845 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 67.5 m -62.18 -45.45 93.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.125 0.488 . . . . 0.0 109.757 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -62.7 -39.39 93.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.278 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.416 ' HG2' HD22 ' A' ' 123' ' ' LEU . 3.1 ttt -65.85 -37.1 85.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.547 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.32 -43.92 64.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.729 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -81.42 -33.96 31.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.949 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.49 -60.86 2.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.313 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.416 HD22 ' HG2' ' A' ' 119' ' ' MET . 1.1 tp -51.0 -45.56 61.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.05 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -58.58 -48.9 79.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -60.86 -53.29 59.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.212 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . . . -58.95 -36.79 75.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.397 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.426 ' HG3' ' CD2' ' A' ' 56' ' ' PHE . 9.9 ttm -55.47 -43.51 75.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 154.81 41.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 130' ' ' HIS . 22.3 mt -138.07 157.42 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 111.045 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.45 ' N ' HG22 ' A' ' 129' ' ' ILE . 1.7 t-80 -141.67 132.79 26.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -131.61 143.15 50.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.71 81.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.099 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.82 0.343 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -109.69 130.05 55.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.807 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.827 HG23 ' CD2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -48.57 161.22 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.252 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.685 HG23 ' HB2' ' A' ' 35' ' ' GLN . 1.1 t -56.94 141.15 46.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.297 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -37.73 53.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.199 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 38' ' ' SER . 5.3 m -61.4 -43.46 98.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.518 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.685 ' HB2' HG23 ' A' ' 32' ' ' THR . 0.2 OUTLIER -67.81 -41.37 83.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.628 179.74 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.827 ' CD2' HG23 ' A' ' 31' ' ' VAL . 1.9 mm? -53.65 -48.9 68.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.067 0.46 . . . . 0.0 109.933 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.492 ' C ' HD12 ' A' ' 37' ' ' LEU . 2.0 pp -81.11 -17.03 51.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.185 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.545 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 0.3 OUTLIER -70.96 -24.29 62.39 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.742 179.714 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.669 HG12 ' HG2' ' A' ' 109' ' ' MET . 3.1 t -89.66 -43.02 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.536 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.536 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -63.07 -27.37 69.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.348 179.639 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -79.08 -38.63 35.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.489 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -79.78 -31.5 40.84 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.233 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.85 HD13 HG23 ' A' ' 76' ' ' THR . 0.1 OUTLIER -74.36 -60.99 2.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.018 -179.649 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.8 -41.8 45.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.303 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.38 -47.49 85.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.663 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.428 ' CB ' HD11 ' A' ' 113' ' ' ILE . 0.3 OUTLIER -74.27 -26.26 60.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.955 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.508 ' HB2' HG21 ' A' ' 76' ' ' THR . . . -69.03 69.39 0.19 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.068 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.46 144.88 5.8 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.612 HD11 HG11 ' A' ' 57' ' ' VAL . 71.5 mt -82.46 144.71 50.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.602 0.239 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -54.65 -76.45 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.451 2.101 . . . . 0.0 112.656 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.36 -80.99 0.13 Allowed 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -60.84 -30.09 69.89 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.803 0.335 . . . . 0.0 111.304 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -50.09 -34.88 23.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.061 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.45 ' HA ' HG12 ' A' ' 57' ' ' VAL . 28.4 t-80 -76.14 -45.33 34.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.218 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -55.45 -21.25 15.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.474 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.42 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 1.9 t80 -91.65 -54.45 3.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 111.121 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.047 HG23 HD12 ' A' ' 65' ' ' LEU . 13.3 p -67.92 -9.9 11.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -179.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 t -122.0 -34.8 3.28 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.13 -9.77 20.23 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -123.02 -68.28 0.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.765 0.317 . . . . 0.0 111.644 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.442 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -43.01 149.89 0.48 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.855 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.65 160.26 41.39 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.746 2.297 . . . . 0.0 112.331 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -46.58 -29.95 2.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.2 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 p -61.7 -47.06 87.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.659 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.047 HD12 HG23 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -64.09 -31.08 72.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.629 179.694 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -73.79 -32.96 64.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.697 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -56.91 -48.17 78.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.796 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -69.93 -34.87 74.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.555 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -60.05 -48.18 82.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.645 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -75.28 -31.74 60.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.785 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -59.44 -58.52 8.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.773 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.789 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -58.61 -38.33 77.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.764 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.789 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.0 t80 -72.04 -29.59 64.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.07 -39.43 72.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.998 0.428 . . . . 0.0 110.239 179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -78.01 -24.71 47.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.617 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.85 HG23 HD13 ' A' ' 43' ' ' LEU . 31.0 m -76.83 -40.12 48.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -70.49 -25.36 63.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.174 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.34 -39.51 10.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.368 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.577 HG22 ' HA ' ' A' ' 76' ' ' THR . 14.7 t -61.02 -38.29 85.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.768 0.318 . . . . 0.0 110.931 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.536 HD23 ' HA ' ' A' ' 40' ' ' ARG . 42.0 mt -59.84 -34.93 73.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.79 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.23 -49.77 74.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.781 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 76.1 mtm -55.25 -24.16 26.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.989 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.677 ' HB2' ' HE1' ' A' ' 109' ' ' MET . . . -77.3 -46.91 21.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.991 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.418 ' HA ' ' CD2' ' A' ' 87' ' ' HIS . 0.7 OUTLIER -85.08 47.83 1.47 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.185 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.675 ' CE ' HG22 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -130.38 -47.95 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -51.99 -31.26 28.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.921 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.516 ' O ' HG22 ' A' ' 91' ' ' THR . 9.8 m-70 -68.07 71.34 0.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.893 0.378 . . . . 0.0 110.951 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.792 ' HA ' ' HB2' ' A' ' 93' ' ' ALA . 3.0 mtm180 -56.01 -19.21 11.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.638 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -98.66 -29.91 12.77 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.5 mtm -93.45 -35.74 12.82 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 87' ' ' HIS . 9.0 t -116.41 -164.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.723 0.297 . . . . 0.0 110.921 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.83 103.86 3.06 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.901 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.792 ' HB2' ' HA ' ' A' ' 88' ' ' ARG . . . -93.43 34.4 1.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.75 0.309 . . . . 0.0 111.269 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.2 p -99.6 -114.66 0.16 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.454 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.02 69.5 0.32 Allowed Glycine 0 C--N 1.334 0.461 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.342 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.675 HG22 ' CE ' ' A' ' 85' ' ' MET . 25.6 pt -82.94 -177.4 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 111.323 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.549 HD22 ' HG2' ' A' ' 100' ' ' MET . 14.9 p30 -56.65 166.98 1.11 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.926 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -69.31 57.58 1.28 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.758 2.305 . . . . 0.0 112.357 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 71.44 125.11 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.692 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.549 ' HG2' HD22 ' A' ' 97' ' ' ASN . 5.8 ptm -137.6 164.15 29.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.741 0.305 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.2 mt -85.17 154.09 60.04 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.748 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.34 -47.43 4.39 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.54 2.16 . . . . 0.0 112.59 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.593 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -84.82 -8.63 58.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.608 -179.655 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.47 -37.56 12.02 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.803 0.335 . . . . 0.0 111.356 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.58 ' OD1' HG13 ' A' ' 106' ' ' VAL . 4.3 p30 -79.12 -58.91 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.437 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.593 HG22 ' HA ' ' A' ' 103' ' ' HIS . 29.4 m -52.86 -45.81 51.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.708 0.29 . . . . 0.0 111.557 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.487 ' N ' HG23 ' A' ' 106' ' ' VAL . 0.9 OUTLIER -60.95 -57.1 14.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.382 . . . . 0.0 110.757 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -63.29 -21.35 66.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.677 ' HE1' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -64.56 -62.66 1.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.845 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.477 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -53.01 -25.89 13.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.719 179.745 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -66.94 -37.44 84.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.554 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.618 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -62.39 -43.32 99.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.853 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.477 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.2 OUTLIER -63.63 -30.23 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.748 179.826 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 90.3 m -60.14 -35.24 74.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.31 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -86.87 -41.87 13.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.547 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.46 ' CD1' HD13 ' A' ' 72' ' ' LEU . 49.0 m95 -66.35 -50.77 62.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.517 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.8 t -56.65 -49.56 74.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.36 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.68 -33.18 71.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.339 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.6 ttt -69.24 -35.45 76.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.601 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -54.4 -44.65 72.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.585 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -81.92 -38.18 25.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.912 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.01 -60.22 2.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.273 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.697 HD21 ' HB ' ' A' ' 57' ' ' VAL . 4.6 tp -52.9 -39.66 62.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.85 -44.5 90.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -67.32 -44.61 78.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.33 -31.42 72.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.97 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 9.9 ttm -62.51 -45.94 90.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 151.14 44.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' ' 130' ' ' HIS . 26.3 mt -139.3 158.92 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.327 . . . . 0.0 111.132 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.479 ' N ' HG22 ' A' ' 129' ' ' ILE . 8.4 m-70 -135.08 119.61 18.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -106.84 143.8 34.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.033 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -139.36 81.5 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.142 179.926 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.826 0.346 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -108.23 171.43 7.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.685 HG23 ' CD2' ' A' ' 36' ' ' LEU . 2.9 m -61.55 175.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.045 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.664 HG23 ' H ' ' A' ' 35' ' ' GLN . 9.0 t -79.58 164.16 24.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.058 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.2 m -60.1 -37.16 79.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.732 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -33.93 76.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.734 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.664 ' H ' HG23 ' A' ' 32' ' ' THR . 0.5 OUTLIER -70.33 -38.24 74.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.933 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.685 ' CD2' HG23 ' A' ' 31' ' ' VAL . 4.1 mm? -52.72 -50.6 63.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.106 0.479 . . . . 0.0 110.15 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 pp -81.33 -23.07 38.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.295 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.607 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 0.3 OUTLIER -61.49 -45.26 94.98 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.825 0.345 . . . . 0.0 110.656 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.2 t -72.78 -37.62 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.728 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.513 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -66.38 -25.34 66.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.241 179.539 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -73.95 -35.08 64.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.367 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 5.1 pt20 -80.78 -32.14 35.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.712 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.862 ' HB3' HD21 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -77.44 -65.79 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.809 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 1.047 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -46.75 -45.52 19.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.592 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -55.77 -46.66 77.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.863 0.363 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -73.83 -24.71 59.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.622 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -73.61 63.47 0.83 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.462 ' N ' ' CZ3' ' A' ' 116' ' ' TRP . . . -178.93 113.04 0.39 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.561 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.553 HD22 ' HZ3' ' A' ' 116' ' ' TRP . 3.7 mm? -59.54 148.74 73.25 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.605 0.241 . . . . 0.0 110.496 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -62.06 -85.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.453 2.102 . . . . 0.0 112.459 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -148.25 -77.17 0.16 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.785 0.326 . . . . 0.0 111.14 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -53.15 -34.92 58.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.259 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.481 ' HB3' HD12 ' A' ' 49' ' ' LEU . 2.7 mp0 -58.13 -35.21 71.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.969 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.584 ' HA ' HG12 ' A' ' 57' ' ' VAL . 30.9 t-80 -79.36 -35.86 40.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.91 -20.33 50.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.71 -59.0 1.86 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.839 0.352 . . . . 0.0 111.0 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.985 HG23 HD12 ' A' ' 65' ' ' LEU . 15.0 p -56.93 -16.13 3.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -179.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 t -115.73 -39.89 3.44 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.99 -9.89 29.94 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -123.63 -65.71 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.702 0.287 . . . . 0.0 111.485 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.76 150.09 0.74 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.811 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.68 160.19 48.83 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.792 2.328 . . . . 0.0 112.385 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -49.48 -34.2 16.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.173 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -47.05 84.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.963 0.411 . . . . 0.0 110.68 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.985 HD12 HG23 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -62.92 -34.91 78.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.462 179.613 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -72.39 -32.89 66.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.692 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -55.34 -44.44 75.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -74.05 -28.22 61.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.496 ' CE2' HD23 ' A' ' 49' ' ' LEU . 8.2 t80 -56.56 -50.15 72.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.78 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -76.73 -34.36 58.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -56.56 -62.66 1.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.761 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.4 pp -54.23 -37.17 64.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.81 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.761 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.7 t80 -72.83 -31.32 64.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.81 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.7 m -51.84 -41.11 61.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.04 0.447 . . . . 0.0 110.285 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -77.9 -26.74 49.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.521 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.827 HG23 ' CD1' ' A' ' 43' ' ' LEU . 76.9 m -73.8 -37.95 64.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.022 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -74.15 -25.1 59.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.369 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.12 -31.09 13.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.462 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.526 HG22 ' HA ' ' A' ' 76' ' ' THR . 15.3 t -66.82 -47.64 71.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.737 0.303 . . . . 0.0 111.032 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 1.047 HD13 ' HB2' ' A' ' 44' ' ' ALA . 32.8 mt -61.79 -38.93 89.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.14 -50.23 71.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.1 mtp -57.98 -26.8 62.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.048 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.557 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -80.05 -26.27 39.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.329 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.519 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 9.4 t70 -95.42 39.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.11 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.585 ' O ' HG21 ' A' ' 91' ' ' THR . 2.5 mtt -130.72 -48.08 1.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.708 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -36.65 -56.47 0.82 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.213 -179.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.905 ' O ' HG22 ' A' ' 91' ' ' THR . 1.2 p80 -66.41 71.32 0.07 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.745 ' HB3' ' HB2' ' A' ' 93' ' ' ALA . 24.1 mmt-85 -50.79 -22.88 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.707 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -70.25 -40.02 74.67 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.407 ' CE ' ' HB2' ' A' ' 87' ' ' HIS . 5.1 ptp -106.05 7.96 32.1 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.905 HG22 ' O ' ' A' ' 87' ' ' HIS . 11.5 t -132.86 -160.63 1.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.69 0.281 . . . . 0.0 110.795 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.75 109.56 3.86 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.544 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.745 ' HB2' ' HB3' ' A' ' 88' ' ' ARG . . . -93.26 34.17 1.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.739 0.304 . . . . 0.0 111.373 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.84 -164.52 1.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.799 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -52.0 95.25 0.01 OUTLIER Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.767 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.707 HD11 ' NH2' ' A' ' 88' ' ' ARG . 30.5 pt -116.86 -176.2 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 111.024 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -47.05 166.5 0.18 Allowed Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.173 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -69.65 55.62 1.25 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.815 2.343 . . . . 0.0 112.666 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 49.15 99.72 0.01 OUTLIER Glycine 0 C--N 1.332 0.338 0 C-N-CA 121.069 -0.586 . . . . 0.0 113.126 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.57 ' HE1' ' HA ' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -103.33 168.7 9.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.712 0.291 . . . . 0.0 110.704 179.666 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.1 mt -75.38 131.65 77.38 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.938 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.57 ' HA ' ' HE1' ' A' ' 100' ' ' MET . 29.3 Cg_exo -61.59 -17.28 53.34 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.58 2.187 . . . . 0.0 112.795 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.41 ' O ' HG22 ' A' ' 106' ' ' VAL . 6.7 p80 -96.16 -8.8 32.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.625 0.25 . . . . 0.0 111.529 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.26 -29.46 69.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.466 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 8.0 p30 -79.17 -48.75 13.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.225 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 107' ' ' ASP . 30.4 m -56.85 -41.25 75.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.261 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 106' ' ' VAL . 5.0 t0 -66.09 -45.36 81.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.645 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.78 -25.11 64.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.794 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.467 ' CG ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -65.11 -52.55 54.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.595 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.0 mtm-85 -57.62 -30.91 65.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.677 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 t -60.55 -38.68 85.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.691 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.622 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -61.09 -40.93 95.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -60.74 -34.86 60.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 11.9 p -57.12 -52.14 66.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.093 0.473 . . . . 0.0 110.209 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -73.86 -46.2 46.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.737 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.553 ' HZ3' HD22 ' A' ' 49' ' ' LEU . 34.1 m95 -59.63 -54.7 43.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.2 t -53.96 -45.09 71.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.967 0.413 . . . . 0.0 110.592 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -61.24 -37.85 84.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.604 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.3 ttt -65.07 -38.96 92.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.672 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -52.15 -44.07 64.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.833 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -83.07 -34.01 26.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.86 -60.18 2.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.251 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.58 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.2 tp -54.01 -42.89 69.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -63.91 -36.85 85.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.803 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.64 -41.37 62.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.809 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.84 -35.51 77.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.0 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 16.5 ttm -59.96 -50.46 73.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 159.99 41.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.462 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 130' ' ' HIS . 19.4 mt -131.64 158.2 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.791 0.329 . . . . 0.0 111.165 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.477 ' N ' HG22 ' A' ' 129' ' ' ILE . 6.2 m170 -143.75 132.37 22.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -124.03 153.01 41.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.071 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.68 85.79 2.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 133' ' ' ILE . 3.9 mp . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.412 ' C ' ' ND2' ' A' ' 30' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.871 0.367 . . . . 0.0 111.226 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.412 ' ND2' ' C ' ' A' ' 29' ' ' ASP . 0.5 OUTLIER -144.45 137.08 26.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.869 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.404 ' H ' HG22 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -47.71 162.23 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.934 179.748 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.775 HG23 ' H ' ' A' ' 35' ' ' GLN . 15.3 t -62.36 130.55 45.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 110.664 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.0 p -47.54 -28.89 2.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.446 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.447 ' O ' ' HB3' ' A' ' 38' ' ' SER . 50.2 m -69.21 -38.49 78.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.775 ' H ' HG23 ' A' ' 32' ' ' THR . 37.5 tp60 -70.7 -43.93 68.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.069 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.515 HD11 ' HG2' ' A' ' 86' ' ' GLN . 75.8 mt -52.92 -46.36 68.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.045 0.45 . . . . 0.0 110.371 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.492 ' C ' HD12 ' A' ' 37' ' ' LEU . 2.2 pp -81.3 -15.63 54.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.315 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.447 ' HB3' ' O ' ' A' ' 34' ' ' SER . 25.1 p -73.68 -25.85 60.45 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.735 0.302 . . . . 0.0 110.93 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.691 HG21 HG13 ' A' ' 106' ' ' VAL . 42.0 t -89.17 -37.43 9.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.789 0.328 . . . . 0.0 110.717 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.513 ' HB3' ' HE1' ' A' ' 109' ' ' MET . 0.0 OUTLIER -69.07 -31.27 69.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.01 179.316 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -71.41 -39.76 70.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.126 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.9 -27.51 39.95 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.927 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.84 HD11 HG23 ' A' ' 76' ' ' THR . 2.0 tm? -83.08 -57.58 3.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.011 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.572 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -52.09 -48.26 64.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.341 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -58.21 -49.85 75.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.1 -28.58 68.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.033 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.13 72.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.412 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 162.93 125.15 0.75 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.585 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.587 ' CD1' HG11 ' A' ' 57' ' ' VAL . 23.4 mt -70.83 150.51 95.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.532 0.206 . . . . 0.0 110.713 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -62.31 -78.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.443 2.095 . . . . 0.0 112.513 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -148.64 -68.81 0.22 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.832 0.349 . . . . 0.0 111.499 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.14 -42.93 73.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.332 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.525 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -56.32 -46.61 79.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.975 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.525 ' HA ' HG12 ' A' ' 57' ' ' VAL . 25.1 t-80 -67.01 -45.38 77.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.23 -23.91 9.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.285 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.407 ' HA ' ' HB2' ' A' ' 60' ' ' GLN . 2.4 t80 -90.57 -54.48 3.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.955 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.791 HG23 HD12 ' A' ' 65' ' ' LEU . 10.7 p -68.52 -9.7 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -179.234 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.437 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 16.2 t -120.89 -31.45 4.2 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.23 -9.78 16.01 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.407 ' HB2' ' HA ' ' A' ' 56' ' ' PHE . 65.8 mt-30 -122.34 -66.67 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.738 0.304 . . . . 0.0 111.712 -179.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.437 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -41.61 150.01 0.36 Allowed Pre-proline 0 CA--C 1.53 0.185 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.933 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.01 160.25 50.69 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.779 2.319 . . . . 0.0 112.5 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -47.78 -39.93 19.47 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.179 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.4 t -57.14 -44.2 83.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.682 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.791 HD12 HG23 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -66.09 -33.09 75.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.466 179.634 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -74.65 -32.93 62.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.694 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -56.26 -45.36 80.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -72.35 -28.05 62.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -60.19 -55.65 31.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -74.12 -31.1 62.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.007 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -60.0 -56.49 21.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.821 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.4 pp -59.89 -32.62 70.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.941 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.821 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.2 t80 -77.14 -33.8 56.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.842 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.5 -35.26 62.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.027 0.441 . . . . 0.0 110.444 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.568 ' O ' HG23 ' A' ' 79' ' ' THR . 16.4 m80 -83.64 -25.7 30.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.674 179.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.84 HG23 HD11 ' A' ' 43' ' ' LEU . 86.7 m -73.81 -40.99 62.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.07 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -38.14 76.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.288 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.16 -25.47 55.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.26 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 75' ' ' HIS . 11.4 p -79.76 -48.02 14.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.238 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.572 HD22 ' HB2' ' A' ' 44' ' ' ALA . 15.6 mt -53.18 -30.78 39.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 110.83 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -61.87 -33.73 74.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.452 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 59.9 mtm -67.28 -31.62 72.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.593 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.638 ' HB2' ' SD ' ' A' ' 109' ' ' MET . . . -71.29 -30.08 65.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.822 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -92.23 44.73 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.483 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 86' ' ' GLN . 2.0 tmt? -130.46 -67.33 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.452 -179.556 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.515 ' HG2' HD11 ' A' ' 36' ' ' LEU . 9.3 tp-100 -27.72 -45.39 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.4 ' HB2' ' CG ' ' A' ' 90' ' ' MET . 0.0 OUTLIER -93.51 51.73 1.63 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.007 0.432 . . . . 0.0 110.867 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.52 ' HE ' HD11 ' A' ' 96' ' ' ILE . 2.0 mmt180 -49.72 -26.14 3.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.547 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -77.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.957 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.483 ' HG3' HG22 ' A' ' 91' ' ' THR . 14.5 ptp -55.94 -30.86 62.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.5 -179.132 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.483 HG22 ' HG3' ' A' ' 90' ' ' MET . 11.6 t -169.94 118.01 0.58 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.09 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 152.56 -84.54 0.15 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.273 -0.965 . . . . 0.0 113.206 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -155.05 -94.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.656 0.265 . . . . 0.0 111.526 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.513 ' N ' ' HB3' ' A' ' 88' ' ' ARG . 0.8 OUTLIER -152.14 -178.2 6.64 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.594 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -74.66 109.73 2.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.72 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.52 HD11 ' HE ' ' A' ' 88' ' ' ARG . 13.6 pt -135.07 170.65 19.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.982 0.42 . . . . 0.0 111.296 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.413 ' HB2' ' HD2' ' A' ' 98' ' ' PRO . 2.0 p30 -53.95 165.59 0.75 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.705 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.476 ' O ' ' C ' ' A' ' 99' ' ' GLY . 93.0 Cg_endo -87.57 31.0 0.44 Allowed 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.768 2.312 . . . . 0.0 112.516 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 98' ' ' PRO . . . -20.73 -65.18 0.01 OUTLIER Glycine 0 C--N 1.337 0.636 0 CA-C-N 116.157 -0.474 . . . . 0.0 114.127 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.446 ' HG2' ' N ' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -86.75 145.94 26.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.811 0.338 . . . . 0.0 111.039 -179.689 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.446 ' N ' ' HG2' ' A' ' 100' ' ' MET . 20.2 mt -62.08 156.45 58.51 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.718 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 101' ' ' LEU . 64.8 Cg_endo -73.82 -38.17 2.49 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.568 2.179 . . . . 0.0 113.119 -179.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.4 ' HE1' HD13 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -85.7 -8.8 57.97 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.219 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.406 ' CG ' ' HB2' ' A' ' 101' ' ' LEU . 1.3 mm-40 -48.76 -66.42 0.4 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.965 0.412 . . . . 0.0 111.199 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.483 ' OD1' HD22 ' A' ' 36' ' ' LEU . 3.4 p30 -51.43 -47.53 62.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.433 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.691 HG13 HG21 ' A' ' 39' ' ' VAL . 33.9 t -55.58 -69.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.618 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -51.43 -35.61 40.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.268 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -73.41 -36.76 66.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.033 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.638 ' SD ' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -65.64 -57.49 8.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.771 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.603 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -49.68 -32.04 12.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.818 179.778 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -41.66 97.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.484 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.602 ' HB1' ' OG1' ' A' ' 76' ' ' THR . . . -55.97 -39.17 71.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.069 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.603 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.2 OUTLIER -65.19 -29.38 47.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.847 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 89.0 m -59.73 -36.84 77.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.069 0.462 . . . . 0.0 110.096 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -83.71 -42.69 16.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.481 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.412 ' CH2' ' HA2' ' A' ' 48' ' ' GLY . 50.9 m95 -65.54 -51.33 60.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.799 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.5 m -54.0 -46.59 71.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.605 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -60.92 -22.5 64.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.7 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.656 ' HG2' HD22 ' A' ' 123' ' ' LEU . 1.8 ttt -75.47 -54.0 7.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -48.69 -29.65 4.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.141 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.36 -44.63 14.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.902 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.52 -52.76 16.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.038 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.773 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -54.95 -41.76 71.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.816 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -57.78 -47.45 82.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.765 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -70.95 -37.42 72.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.777 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.18 -37.36 80.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 6.1 ttm -58.92 -40.88 85.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 144.62 46.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.442 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.439 HG22 ' N ' ' A' ' 130' ' ' HIS . 32.3 mt -125.4 156.39 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 111.112 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.439 ' N ' HG22 ' A' ' 129' ' ' ILE . 58.4 m80 -118.29 60.22 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.58 150.39 27.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.072 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -138.32 86.4 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.078 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.844 0.355 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -151.17 172.91 15.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.82 HG23 HD22 ' A' ' 36' ' ' LEU . 2.6 m -67.0 140.39 19.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.12 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.503 HG23 ' HB2' ' A' ' 35' ' ' GLN . 1.7 t -49.89 161.79 0.23 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.473 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 91.6 p -65.35 -32.18 73.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.658 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.5 -30.95 69.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.363 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.65 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -81.87 -31.92 31.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.554 179.649 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.82 HD22 HG23 ' A' ' 31' ' ' VAL . 2.0 mm? -52.8 -48.47 66.89 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.229 0.538 . . . . 0.0 109.72 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 pp -76.05 -26.64 56.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.014 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.1 t -60.58 -33.52 72.84 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.318 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.81 HG12 ' HG2' ' A' ' 109' ' ' MET . 1.6 t -74.66 -47.77 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.387 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.629 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -60.63 -26.18 66.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.328 179.4 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -70.55 -37.36 74.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.037 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.454 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -71.33 -31.02 66.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.211 -179.7 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.03 HD13 HG23 ' A' ' 76' ' ' THR . 0.3 OUTLIER -84.45 -56.27 3.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.773 0.32 . . . . 0.0 110.6 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.53 -30.15 1.37 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.576 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -78.69 -63.16 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.068 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.9 t -59.24 -41.17 88.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.036 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.829 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -64.89 80.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.02 149.29 11.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.523 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.625 HD13 ' HD2' ' A' ' 50' ' ' PRO . 1.7 mm? -105.03 126.93 29.77 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.547 0.213 . . . . 0.0 110.743 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.625 ' HD2' HD13 ' A' ' 49' ' ' LEU . 31.6 Cg_endo -64.03 -85.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.378 2.052 . . . . 0.0 112.43 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.22 -77.08 0.16 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.695 0.283 . . . . 0.0 111.283 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -58.44 -35.97 72.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.214 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.564 ' O ' HG12 ' A' ' 57' ' ' VAL . 80.9 mt-30 -56.34 -30.66 62.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.062 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.515 ' HA ' HG12 ' A' ' 57' ' ' VAL . 28.9 t-80 -89.86 -37.52 14.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -57.2 -21.52 34.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.293 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -96.15 -59.59 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 0.0 111.034 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.993 HG23 HD12 ' A' ' 65' ' ' LEU . 12.8 p -59.86 -13.8 5.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.445 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 31.0 t -118.77 -32.4 4.54 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.4 -9.86 17.3 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -178.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -123.52 -65.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.756 0.313 . . . . 0.0 111.677 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.525 ' HB1' ' CB ' ' A' ' 65' ' ' LEU . . . -41.51 150.33 0.34 Allowed Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.974 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.28 160.41 49.95 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.861 2.374 . . . . 0.0 112.38 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -45.4 -41.16 8.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.277 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -33.03 64.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.045 0.45 . . . . 0.0 110.69 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.993 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -82.96 -31.29 27.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.591 179.71 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -77.19 -51.33 11.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.413 -179.769 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -60.35 -35.26 75.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.651 0.262 . . . . 0.0 110.891 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.403 ' HD3' HD22 ' A' ' 65' ' ' LEU . 1.1 ptt85 -74.08 -30.5 62.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.887 0.375 . . . . 0.0 110.638 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.4 ' HB3' ' O ' ' A' ' 66' ' ' ARG . 7.3 t80 -55.51 -44.95 77.07 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.728 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.54 -25.13 56.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.002 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -59.74 -62.45 1.87 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.896 0.379 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.797 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.4 pp -57.17 -36.68 71.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.797 ' N ' HD12 ' A' ' 72' ' ' LEU . 2.9 t80 -72.83 -34.13 66.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.6 m -53.54 -34.39 58.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.006 0.431 . . . . 0.0 110.23 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -77.7 -31.82 52.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.388 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . 1.03 HG23 HD13 ' A' ' 43' ' ' LEU . 40.5 m -73.22 -37.2 66.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.193 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -74.92 -22.54 58.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.541 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.49 -30.35 12.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.644 0.259 . . . . 0.0 111.424 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.559 HG22 ' HA ' ' A' ' 76' ' ' THR . 15.2 t -67.95 -46.25 71.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 111.087 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' A' ' 40' ' ' ARG . 9.7 mt -56.44 -42.6 78.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -54.61 -51.84 64.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.03 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 56.5 mtm -59.18 -27.86 66.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.966 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.65 -42.78 70.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.975 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.405 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 1.1 t0 -91.34 48.96 1.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.411 ' HG3' ' CG2' ' A' ' 96' ' ' ILE . 0.0 OUTLIER -130.19 -43.51 1.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.285 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -50.48 -27.85 7.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.94 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.605 ' HB2' HG22 ' A' ' 91' ' ' THR . 7.4 m80 -68.07 71.28 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 111.009 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.779 ' HA ' ' HB2' ' A' ' 93' ' ' ALA . 21.7 mtm180 -55.85 -19.2 10.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.697 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -99.96 -29.89 12.31 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.419 ' HB2' ' HB3' ' A' ' 87' ' ' HIS . 2.6 mtm -94.74 -32.15 13.46 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.037 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.605 HG22 ' HB2' ' A' ' 87' ' ' HIS . 14.5 t -123.39 -163.3 1.11 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.73 0.3 . . . . 0.0 111.074 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.84 106.02 3.36 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.851 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.779 ' HB2' ' HA ' ' A' ' 88' ' ' ARG . . . -93.57 34.34 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.714 0.292 . . . . 0.0 111.436 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 96' ' ' ILE . 53.4 m -99.62 -114.64 0.16 Allowed 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.478 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.14 75.77 0.05 OUTLIER Glycine 0 C--N 1.335 0.503 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.148 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 94' ' ' SER . 50.6 pt -96.09 -174.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.949 0.404 . . . . 0.0 111.429 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -53.72 167.78 0.46 Allowed Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.874 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -69.15 55.96 1.07 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.774 2.316 . . . . 0.0 112.518 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.72 125.1 0.01 OUTLIER Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.934 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.484 ' HE1' ' O ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -161.51 152.69 18.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.765 0.317 . . . . 0.0 110.76 179.696 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.484 ' O ' ' HE1' ' A' ' 100' ' ' MET . 1.3 mt -77.72 139.53 62.65 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.07 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.468 ' HA ' ' HE1' ' A' ' 100' ' ' MET . 53.1 Cg_exo -52.76 -24.05 22.31 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.64 2.227 . . . . 0.0 112.739 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.434 ' NE2' HD13 ' A' ' 101' ' ' LEU . 6.3 p80 -78.55 -22.09 47.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.389 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -53.82 -54.64 35.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.82 0.343 . . . . 0.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -59.96 -30.06 68.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.803 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.465 ' HA ' HG11 ' A' ' 39' ' ' VAL . 39.0 t -67.28 -57.67 9.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.962 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -58.39 -33.99 70.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.23 -28.41 59.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.81 ' HG2' HG12 ' A' ' 39' ' ' VAL . 4.5 tpp -59.12 -58.19 9.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.008 0.432 . . . . 0.0 110.687 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.531 ' O ' HG23 ' A' ' 114' ' ' THR . 0.0 OUTLIER -64.23 -23.8 67.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.632 179.552 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.1 t -60.69 -40.88 93.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.063 0.459 . . . . 0.0 110.468 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.603 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -66.64 -35.92 81.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.564 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.7 OUTLIER -63.5 -33.8 63.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.563 179.601 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 110' ' ' ARG . 13.8 p -58.84 -51.66 69.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.106 0.479 . . . . 0.0 109.78 179.219 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -70.62 -48.29 55.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.364 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.615 ' CD1' HD13 ' A' ' 72' ' ' LEU . 26.2 m95 -58.64 -57.13 14.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.841 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.9 p -52.96 -45.66 67.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.048 0.451 . . . . 0.0 110.473 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.22 -32.22 72.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.418 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.519 ' SD ' HD21 ' A' ' 72' ' ' LEU . 4.8 ttt -70.85 -38.62 73.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.65 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -52.9 -41.1 64.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.779 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -81.26 -33.95 32.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.998 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.96 -59.33 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.329 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.514 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -51.56 -43.52 62.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 -179.814 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -59.49 -49.61 77.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.841 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.33 -34.99 79.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.37 -42.73 58.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 14.0 ttm -52.88 -31.71 41.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.065 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 135.37 43.52 0.11 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.6 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 130' ' ' HIS . 23.1 mt -125.36 156.47 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 111.155 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.438 ' N ' HG22 ' A' ' 129' ' ' ILE . 0.8 OUTLIER -131.21 137.52 48.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -79.32 148.71 31.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -133.95 80.14 1.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.173 179.947 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 t70 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.825 0.345 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -103.97 -178.84 3.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.694 HG23 ' CD2' ' A' ' 36' ' ' LEU . 2.9 m -76.69 166.42 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.074 179.857 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.2 p -63.31 161.08 14.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 -179.8 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.5 m -63.46 -39.23 93.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.497 179.536 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.48 -30.63 71.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.238 179.447 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.403 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -69.52 -39.27 77.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.457 179.571 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.694 ' CD2' HG23 ' A' ' 31' ' ' VAL . 3.5 mm? -52.97 -49.99 65.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.053 179.314 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.528 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 3.0 pp -81.15 -16.3 53.36 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.791 179.24 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.403 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 34.8 t -69.41 -27.5 65.33 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.848 0.356 . . . . 0.0 110.687 179.533 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.512 HG12 ' HG2' ' A' ' 109' ' ' MET . 24.5 t -89.18 -35.82 8.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.022 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.541 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -67.36 -25.43 65.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 110.493 179.636 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.415 ' CD2' HH11 ' A' ' 40' ' ' ARG . 14.0 m80 -81.0 -41.39 22.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.643 179.678 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -35.94 66.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.82 ' CD1' HG23 ' A' ' 76' ' ' THR . 0.3 OUTLIER -74.17 -55.72 5.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.836 -179.779 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.449 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -53.36 -34.52 57.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.037 179.81 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -61.91 -42.67 99.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.721 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.8 m -94.2 13.41 23.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.389 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.557 ' HB1' ' HE1' ' A' ' 73' ' ' TYR . . . -108.66 72.75 0.84 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.884 0.373 . . . . 0.0 111.099 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.415 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 162.92 115.37 0.34 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.602 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 53' ' ' GLN . 91.9 mt -64.35 141.03 98.1 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.487 0.184 . . . . 0.0 110.696 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 31.5 Cg_exo -57.5 -76.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.409 2.073 . . . . 0.0 112.677 -179.578 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -148.54 -70.66 0.21 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.861 0.362 . . . . 0.0 111.431 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.96 -38.86 73.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.186 -179.541 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.661 ' HB3' HD22 ' A' ' 49' ' ' LEU . 12.4 mt-30 -55.75 -44.27 77.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.007 -179.844 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.553 ' HA ' HG12 ' A' ' 57' ' ' VAL . 26.1 t-80 -71.41 -47.02 58.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.202 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.27 -23.54 9.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.518 -179.734 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.432 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 3.0 t80 -90.74 -53.29 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 0.0 111.069 -179.771 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.934 HG23 HD12 ' A' ' 65' ' ' LEU . 12.5 p -67.03 -9.77 10.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -179.175 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 m -122.49 -35.81 3.03 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.103 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.3 -9.79 21.96 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -178.899 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -124.02 -67.75 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.723 0.297 . . . . 0.0 111.75 -179.369 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.515 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -40.47 150.02 0.29 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.058 -179.331 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.91 160.34 46.19 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.834 2.356 . . . . 0.0 112.392 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -47.25 -32.59 4.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.0 t -61.06 -46.97 88.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.684 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.934 HD12 HG23 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -66.75 -31.94 72.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.596 179.772 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -72.01 -32.98 67.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.717 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -58.77 -50.06 75.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -66.62 -31.13 71.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.722 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -60.0 -52.93 63.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.775 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -71.11 -30.01 65.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.31 -61.75 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.697 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.2 pp -55.72 -36.23 66.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.697 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.1 t80 -78.46 -27.83 46.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.898 179.903 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -42.84 65.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.943 0.401 . . . . 0.0 110.564 179.707 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.604 ' O ' HG23 ' A' ' 79' ' ' THR . 32.0 m80 -76.96 -35.76 57.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.5 179.589 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.82 HG23 ' CD1' ' A' ' 43' ' ' LEU . 86.2 m -58.33 -44.16 88.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.058 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -63.82 -53.66 47.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.375 -179.713 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.61 -32.44 74.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.502 -179.505 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 75' ' ' HIS . 11.0 p -64.67 -52.71 55.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 110.979 -179.885 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.541 HD23 ' HA ' ' A' ' 40' ' ' ARG . 71.3 mt -54.6 -34.26 61.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.791 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -71.01 -35.71 72.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.641 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 39.3 mtp -73.67 -29.24 62.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.781 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.508 ' CB ' ' HE3' ' A' ' 109' ' ' MET . . . -85.63 -27.8 25.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -94.22 22.48 5.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.621 ' HA ' HG21 ' A' ' 91' ' ' THR . 26.6 tpp -130.4 -30.77 1.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.728 -179.618 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -43.83 -29.12 0.5 Allowed 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.403 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.703 ' O ' HG22 ' A' ' 91' ' ' THR . 0.7 OUTLIER -72.16 67.81 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.946 0.403 . . . . 0.0 110.458 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.929 ' HA ' ' HB2' ' A' ' 93' ' ' ALA . 2.4 mmt180 -54.69 -20.26 7.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.84 -179.673 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -99.66 -29.86 12.43 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.279 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 5.5 mtm -94.31 -31.58 13.99 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.069 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.703 HG22 ' O ' ' A' ' 87' ' ' HIS . 11.6 t -113.99 -156.86 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.574 0.226 . . . . 0.0 111.043 -179.63 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.6 104.4 3.14 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.551 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.929 ' HB2' ' HA ' ' A' ' 88' ' ' ARG . . . -92.22 34.47 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.67 0.272 . . . . 0.0 111.501 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 96' ' ' ILE . 19.4 p -99.52 -114.4 0.16 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.847 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.24 77.06 0.02 OUTLIER Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.602 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 94' ' ' SER . 29.7 pt -115.27 -175.64 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.803 0.335 . . . . 0.0 111.129 -179.909 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -57.56 164.1 3.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -69.02 56.96 1.11 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.828 2.352 . . . . 0.0 112.463 -179.852 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 60.19 112.98 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.632 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.617 ' HE1' ' HA ' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -136.56 160.47 38.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 110.851 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.7 HD13 ' CE1' ' A' ' 103' ' ' HIS . 0.9 OUTLIER -79.56 135.5 56.65 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.982 -179.824 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.617 ' HA ' ' HE1' ' A' ' 100' ' ' MET . 69.2 Cg_exo -51.55 -23.1 13.96 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.684 2.256 . . . . 0.0 112.81 -179.781 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.7 ' CE1' HD13 ' A' ' 101' ' ' LEU . 10.4 p80 -87.26 -23.0 24.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.39 -179.587 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -51.34 -41.39 60.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.945 0.403 . . . . 0.0 110.844 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.479 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 4.3 p30 -73.57 -41.31 63.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.791 179.893 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.47 HG13 HG21 ' A' ' 39' ' ' VAL . 32.2 t -56.75 -67.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.569 -179.811 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -49.67 -45.1 48.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.477 -179.543 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.2 -29.01 68.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.233 -179.726 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.512 ' HG2' HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -64.1 -63.4 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.925 -179.932 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.484 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -48.37 -29.73 4.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.803 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.58 -36.38 83.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.376 179.525 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.572 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -61.39 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.796 179.698 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.484 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.2 OUTLIER -62.62 -30.3 48.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.733 179.865 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 87.0 m -60.05 -35.67 75.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.014 0.435 . . . . 0.0 110.259 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -86.62 -43.01 12.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.471 179.461 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.513 ' CD1' HD13 ' A' ' 72' ' ' LEU . 47.9 m95 -64.51 -50.91 65.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.449 179.618 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.0 t -56.76 -50.42 72.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.219 179.38 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -60.19 -33.56 72.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.382 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.407 ' O ' ' N ' ' A' ' 123' ' ' LEU . 2.8 ttt -68.77 -38.53 80.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.558 179.704 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 16.6 ttm-85 -52.05 -42.73 63.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.694 179.739 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -81.72 -38.46 25.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.091 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.88 -59.9 2.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.27 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.72 HD21 ' HB ' ' A' ' 57' ' ' VAL . 2.9 tp -51.32 -44.15 61.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.078 -179.91 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.98 -41.32 78.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -70.49 -51.6 27.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.13 -33.91 71.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.178 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 14.2 ttm -59.44 -42.97 93.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 139.66 42.97 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.532 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 130' ' ' HIS . 18.6 mt -140.4 159.95 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.468 ' N ' HG22 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -127.93 104.56 7.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 179.88 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.542 ' HB1' ' CD1' ' A' ' 133' ' ' ILE . . . -137.08 155.01 50.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.161 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -136.91 79.97 1.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.542 ' CD1' ' HB1' ' A' ' 131' ' ' ALA . 3.8 mp . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.818 0.342 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.411 ' HB3' ' HB3' ' A' ' 102' ' ' PRO . 4.1 m-20 -126.04 144.26 50.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.852 HG23 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -48.51 157.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.068 179.717 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.617 HG23 ' HB2' ' A' ' 35' ' ' GLN . 1.2 t -54.73 143.19 26.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.58 -37.5 68.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.51 -38.77 88.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.617 ' HB2' HG23 ' A' ' 32' ' ' THR . 1.6 tm0? -66.45 -42.71 87.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.746 179.877 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.852 HD21 HG23 ' A' ' 31' ' ' VAL . 3.8 mm? -52.93 -49.64 65.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.032 0.444 . . . . 0.0 109.992 179.333 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.477 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 2.0 pp -81.52 -17.69 47.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.109 179.416 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.409 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 40.9 t -66.34 -30.78 71.26 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.78 0.324 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.511 HG23 ' CE ' ' A' ' 109' ' ' MET . 2.7 m -89.64 -36.5 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.286 -179.9 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.685 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -66.59 -25.69 66.74 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.422 179.929 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -85.17 -34.18 22.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.443 179.455 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -37.2 29.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.197 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.916 HD13 HG23 ' A' ' 76' ' ' THR . 0.2 OUTLIER -73.86 -50.64 19.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.007 -179.622 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.431 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -52.97 -47.2 68.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.138 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.03 -49.27 77.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -70.02 -29.09 66.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.74 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -69.95 69.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 173.65 132.54 1.55 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.533 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 53' ' ' GLN . 30.1 mt -74.25 151.0 87.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -61.28 -83.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.555 2.17 . . . . 0.0 112.462 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.22 -67.69 0.24 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.781 0.324 . . . . 0.0 111.283 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -67.21 -30.54 70.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.235 -179.588 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.586 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -54.56 -40.31 68.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.178 -179.848 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.453 ' HA ' HG12 ' A' ' 57' ' ' VAL . 27.8 t-80 -73.92 -37.53 64.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -58.55 -19.9 41.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.727 -179.52 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.427 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 2.6 t80 -97.59 -59.33 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 111.146 -179.533 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.728 ' HB ' HD21 ' A' ' 123' ' ' LEU . 12.8 p -57.91 -15.8 5.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.155 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -116.33 -37.2 3.82 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.18 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.8 -9.78 23.92 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.938 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -125.52 -67.17 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.315 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.416 ' CB ' ' HA ' ' A' ' 57' ' ' VAL . . . -40.59 150.16 0.29 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.133 -179.289 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.29 160.29 42.38 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.796 2.331 . . . . 0.0 112.519 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -48.21 -32.85 7.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.189 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.8 p -57.5 -46.81 83.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.004 0.43 . . . . 0.0 110.752 179.824 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.612 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -75.06 -28.66 60.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.772 179.79 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -73.15 -50.65 21.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.655 -179.507 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 68' ' ' ARG . 31.7 p30 -58.25 -34.35 70.36 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.265 -179.432 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.493 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -74.45 -31.27 62.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.961 0.41 . . . . 0.0 110.526 179.462 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -59.41 -45.34 91.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.729 179.743 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -74.85 -29.02 60.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -59.41 -60.07 4.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.797 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -56.96 -38.49 73.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.797 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.1 t80 -72.83 -29.8 63.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.74 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.2 t -54.29 -39.34 66.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.032 0.444 . . . . 0.0 110.383 179.608 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -78.98 -26.6 43.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.644 179.446 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.916 HG23 HD13 ' A' ' 43' ' ' LEU . 90.3 m -70.8 -33.26 70.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -76.0 -34.73 59.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.351 -179.674 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -30.52 25.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.451 -179.599 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.473 HG22 ' HA ' ' A' ' 76' ' ' THR . 12.8 t -69.6 -42.13 74.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 110.92 -179.852 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.685 HD23 ' HA ' ' A' ' 40' ' ' ARG . 46.9 mt -57.37 -45.45 84.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.64 -49.46 77.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.744 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.6 mtm -56.8 -24.42 50.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.121 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.478 ' HB2' ' CE ' ' A' ' 109' ' ' MET . . . -76.74 -43.93 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.191 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.514 ' O ' HG21 ' A' ' 91' ' ' THR . 1.2 t0 -86.33 46.34 1.33 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.509 ' HA ' HG21 ' A' ' 91' ' ' THR . 0.7 OUTLIER -130.49 -46.57 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.984 0.421 . . . . 0.0 111.005 179.839 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -24.91 7.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.766 -179.631 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.631 ' HB2' HG22 ' A' ' 91' ' ' THR . 18.1 m80 -67.96 71.17 0.15 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.899 0.38 . . . . 0.0 111.01 -179.78 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.401 ' HA ' ' CB ' ' A' ' 93' ' ' ALA . 4.4 mtt180 -54.67 -21.65 11.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.516 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -93.46 -29.8 15.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.624 -179.562 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.414 ' HB2' ' HB3' ' A' ' 87' ' ' HIS . 4.6 mtm -97.13 -51.49 4.19 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.277 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.631 HG22 ' HB2' ' A' ' 87' ' ' HIS . 15.3 t -105.29 -167.06 1.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 111.103 -179.616 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.87 99.1 2.38 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.75 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.401 ' CB ' ' HA ' ' A' ' 88' ' ' ARG . . . -91.16 34.45 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.726 0.298 . . . . 0.0 111.357 179.805 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 96' ' ' ILE . 58.5 m -99.55 -114.49 0.16 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.545 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.54 74.98 0.04 OUTLIER Glycine 0 C--N 1.336 0.534 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 94' ' ' SER . 25.3 pt -101.51 -174.92 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.733 0.301 . . . . 0.0 111.086 -179.886 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -46.22 166.85 0.15 Allowed Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.211 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.82 56.76 1.44 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.789 2.326 . . . . 0.0 112.471 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.79 125.14 0.19 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.658 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.7 ttp -150.29 142.19 23.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.767 0.317 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.488 HD13 ' NE2' ' A' ' 103' ' ' HIS . 2.3 mt -68.04 152.28 96.56 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.67 179.705 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.411 ' HB3' ' HB3' ' A' ' 30' ' ' ASN . 56.8 Cg_endo -70.2 -8.9 24.74 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.581 2.187 . . . . 0.0 112.896 -179.711 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.488 ' NE2' HD13 ' A' ' 101' ' ' LEU . 14.4 p80 -108.22 -9.09 15.58 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.813 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -54.47 -55.55 27.81 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.934 0.397 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -58.69 -46.98 86.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.694 179.824 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.44 HG13 HG11 ' A' ' 39' ' ' VAL . 21.7 t -57.68 -56.65 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.279 179.823 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -58.72 -44.42 90.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.42 -26.09 66.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.511 ' CE ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -67.92 -60.69 2.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.925 -179.87 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.464 ' O ' HG22 ' A' ' 113' ' ' ILE . 2.7 ptp180 -50.77 -27.33 7.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.741 179.85 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.8 t -67.18 -36.59 82.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.433 179.459 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.603 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -62.02 -44.99 95.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.827 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -63.25 -29.05 46.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.848 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 85.1 m -60.5 -36.59 78.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.999 0.428 . . . . 0.0 110.361 179.684 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.566 ' HB3' HD22 ' A' ' 72' ' ' LEU . 1.4 t0 -86.91 -42.25 13.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.54 179.595 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.462 ' CD1' HD13 ' A' ' 72' ' ' LEU . 59.3 m95 -65.47 -49.58 68.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.473 179.71 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.1 t -58.78 -51.24 70.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.288 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -58.58 -33.03 69.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.331 179.466 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.479 ' HG2' HD22 ' A' ' 123' ' ' LEU . 2.8 ttt -67.29 -42.02 84.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.627 179.675 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -50.27 -41.12 49.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.782 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -82.21 -37.17 26.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.022 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.21 -58.93 3.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.234 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.728 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -51.95 -45.47 64.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.014 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -60.34 -42.66 96.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -67.82 -46.86 70.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.808 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.12 99.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.427 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 11.0 ttm -57.48 -30.22 64.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 129.87 42.52 0.22 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.694 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 130' ' ' HIS . 24.2 mt -127.27 158.15 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 111.15 179.832 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.467 ' N ' HG22 ' A' ' 129' ' ' ILE . 37.6 m80 -139.0 63.23 1.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.525 ' HB1' ' CD1' ' A' ' 133' ' ' ILE . . . -128.26 154.43 45.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.066 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -132.76 79.9 1.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.525 ' CD1' ' HB1' ' A' ' 131' ' ' ALA . 4.0 mp . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.821 0.343 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -90.89 -173.66 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.748 HG23 HD22 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -98.81 160.48 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.036 179.878 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.425 ' O ' HD23 ' A' ' 36' ' ' LEU . 10.9 p -58.91 161.11 5.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.162 -179.694 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.98 -39.78 90.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.706 179.805 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 m -67.43 -32.08 72.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.353 179.589 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.49 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 5.5 tp-100 -68.93 -40.37 79.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.435 179.599 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.748 HD22 HG23 ' A' ' 31' ' ' VAL . 3.4 mm? -52.95 -49.5 65.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.152 179.379 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.466 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 2.9 pp -81.24 -17.38 49.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.118 179.748 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.49 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 18.9 m -69.39 -28.08 65.85 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.871 0.367 . . . . 0.0 110.678 179.725 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.598 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . 19.9 t -87.37 -39.55 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.466 ' CG ' ' HA ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -67.51 -23.49 65.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.513 179.519 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -80.04 -37.66 33.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.914 179.41 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.598 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 5.8 pt20 -80.23 -36.58 34.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.753 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.779 ' CD1' HG23 ' A' ' 76' ' ' THR . 1.2 tm? -74.1 -58.41 3.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.176 -179.509 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.591 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -50.09 -48.64 53.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.606 -179.776 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -58.08 -50.64 72.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.144 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -28.04 66.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.23 -179.708 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.487 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -67.79 73.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.33 -179.849 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.41 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 162.9 139.94 2.75 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.696 179.889 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.556 ' CD1' HG11 ' A' ' 57' ' ' VAL . 55.4 mt -85.1 146.58 45.73 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.605 0.241 . . . . 0.0 110.702 179.724 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -61.63 -81.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.406 2.07 . . . . 0.0 112.273 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.25 -67.61 0.24 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.834 0.349 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.91 -37.44 74.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 -179.821 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.509 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -57.38 -44.45 84.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.968 -179.892 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.525 ' HA ' HG12 ' A' ' 57' ' ' VAL . 23.1 t-80 -67.87 -43.27 79.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -53.31 -23.29 8.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.584 -179.667 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.439 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 2.0 t80 -92.1 -52.77 4.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 111.097 -179.683 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.123 HG23 HD12 ' A' ' 65' ' ' LEU . 9.6 p -68.38 -9.7 11.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -179.089 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.44 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 2.0 m -122.11 -28.77 4.33 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.094 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.19 -9.85 17.47 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -178.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -128.86 -60.81 1.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.765 -179.384 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.406 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -42.16 149.85 0.42 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.988 -179.325 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.17 160.32 50.0 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.753 2.302 . . . . 0.0 112.412 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -47.36 -41.39 19.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.284 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.0 -34.07 63.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.752 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.123 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -80.95 -29.49 35.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.886 179.829 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -77.08 -53.21 8.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.51 -179.696 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -58.47 -34.68 71.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.657 0.265 . . . . 0.0 111.022 -179.648 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.682 ' HD3' HD22 ' A' ' 65' ' ' LEU . 1.3 ptm180 -74.07 -30.32 62.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.967 0.413 . . . . 0.0 110.44 179.474 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -56.03 -58.43 7.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.961 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -67.96 -26.44 65.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.48 -62.24 2.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.884 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.0 pp -57.38 -31.45 65.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.884 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.8 t80 -75.56 -31.37 60.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.805 179.923 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.47 -40.88 72.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.004 0.43 . . . . 0.0 110.38 179.58 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.439 ' CE1' ' NH2' ' A' ' 78' ' ' ARG . 2.0 t60 -79.12 -23.1 44.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.655 179.426 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.779 HG23 ' CD1' ' A' ' 43' ' ' LEU . 39.2 m -78.1 -33.82 50.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -77.0 -26.52 53.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.13 -179.767 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.439 ' NH2' ' CE1' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -90.64 -28.79 18.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.39 -179.72 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 76' ' ' THR . 12.6 t -73.1 -46.91 48.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.312 . . . . 0.0 110.967 -179.882 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.612 HD21 ' HB3' ' A' ' 43' ' ' LEU . 17.8 mt -55.92 -31.55 63.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.7 -53.55 57.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.998 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 69.9 mtm -54.67 -41.99 70.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.529 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . . . -58.32 -63.15 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.023 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.454 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 7.2 t70 -87.37 62.08 6.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.8 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.433 ' HG3' HG22 ' A' ' 96' ' ' ILE . 6.6 tpt -126.1 -55.58 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 87' ' ' HIS . 36.2 tt0 -67.45 -86.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.033 -179.855 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.48 ' HB2' ' O ' ' A' ' 91' ' ' THR . 40.4 m80 26.21 46.96 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.926 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.21 -23.11 13.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.218 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -71.72 -29.69 64.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.443 -179.838 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.3 ptp -126.64 -56.25 1.39 Allowed 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.339 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.48 ' O ' ' HB2' ' A' ' 87' ' ' HIS . 11.0 t -133.48 132.76 41.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.919 0.39 . . . . 0.0 111.669 -179.16 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.624 ' O ' ' N ' ' A' ' 94' ' ' SER . . . 134.56 -85.14 0.27 Allowed Glycine 0 CA--C 1.506 -0.476 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.69 179.446 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 92' ' ' GLY . . . 21.97 35.86 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.95 1.092 . . . . 0.0 113.95 179.476 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.624 ' N ' ' O ' ' A' ' 92' ' ' GLY . 5.1 m -144.06 -167.15 2.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.811 0.338 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.68 97.57 0.25 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.587 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.433 HG22 ' HG3' ' A' ' 85' ' ' MET . 38.9 pt -105.4 -177.02 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 111.057 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -49.25 166.13 0.25 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -70.08 55.94 1.47 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.844 2.363 . . . . 0.0 112.567 -179.767 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 53.59 103.61 0.01 OUTLIER Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.934 179.642 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.455 ' HE1' ' O ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -128.26 171.78 11.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.653 0.263 . . . . 0.0 110.705 179.766 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.455 ' O ' ' HE1' ' A' ' 100' ' ' MET . 1.7 mt -83.92 133.28 46.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.434 ' HA ' ' HE1' ' A' ' 100' ' ' MET . 41.4 Cg_exo -56.9 -23.53 51.63 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.66 2.24 . . . . 0.0 112.804 -179.743 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.527 ' HA ' HG22 ' A' ' 106' ' ' VAL . 6.3 p80 -80.5 -8.97 59.77 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.485 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -71.61 -33.69 69.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.914 0.388 . . . . 0.0 110.78 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.529 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 8.0 p30 -79.21 -46.15 18.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.229 -179.903 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.527 HG22 ' HA ' ' A' ' 103' ' ' HIS . 16.5 m -58.1 -46.32 88.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.429 -179.515 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.508 ' N ' HG23 ' A' ' 106' ' ' VAL . 0.3 OUTLIER -61.62 -42.33 98.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.767 -179.883 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -74.39 -29.29 61.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -56.51 7.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.64 179.834 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.521 ' O ' HG22 ' A' ' 113' ' ' ILE . 2.3 ptm180 -52.97 -31.04 38.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.674 179.737 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.7 m -64.85 -35.53 81.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.47 179.464 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.641 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -62.38 -45.59 92.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.711 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.7 OUTLIER -62.27 -28.4 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 179.842 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 88.9 m -60.95 -36.53 79.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.948 0.404 . . . . 0.0 110.165 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.428 ' HB3' HD22 ' A' ' 72' ' ' LEU . 2.0 t0 -85.23 -43.39 13.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.422 179.497 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.41 ' CH2' ' HA2' ' A' ' 48' ' ' GLY . 71.1 m95 -64.96 -50.7 65.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.507 179.564 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.9 t -57.24 -50.89 71.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.296 179.495 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.34 -30.89 65.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.201 179.195 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.1 ttt -70.5 -38.88 74.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.473 179.518 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.2 -41.17 60.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.688 179.683 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -82.99 -41.14 19.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.926 179.788 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.82 -59.2 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.612 HD21 ' HB ' ' A' ' 57' ' ' VAL . 3.0 tp -52.35 -45.46 65.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -60.9 -47.98 83.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -62.96 -42.22 99.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.76 -37.54 79.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.157 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.439 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 8.0 ttm -59.56 -35.07 73.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 138.71 42.79 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.688 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 130' ' ' HIS . 17.2 mt -131.8 158.54 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.77 0.319 . . . . 0.0 111.073 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.487 ' N ' HG22 ' A' ' 129' ' ' ILE . 27.1 m170 -129.66 120.9 25.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -121.59 150.95 40.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.062 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -149.93 92.47 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.105 179.989 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.476 ' C ' HD21 ' A' ' 30' ' ' ASN . 58.9 m-20 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.825 0.345 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.476 HD21 ' C ' ' A' ' 29' ' ' ASP . 2.0 m-80 -135.75 -177.26 4.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.75 HG23 ' CD2' ' A' ' 36' ' ' LEU . 3.5 m -76.79 159.83 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.031 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.644 HG23 ' H ' ' A' ' 35' ' ' GLN . 12.7 t -64.36 167.72 6.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 -179.801 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.18 -36.73 85.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.569 179.713 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.3 m -64.68 -31.59 72.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.417 179.671 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.644 ' H ' HG23 ' A' ' 32' ' ' THR . 49.9 tp60 -75.06 -38.04 61.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.521 179.619 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.75 ' CD2' HG23 ' A' ' 31' ' ' VAL . 3.8 mm? -52.95 -48.17 67.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.057 0.456 . . . . 0.0 110.051 179.35 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 2.7 pp -81.02 -18.86 45.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.706 179.27 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.2 t -66.82 -27.28 67.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.871 0.367 . . . . 0.0 110.577 179.571 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 35' ' ' GLN . 21.3 t -88.74 -40.39 13.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.854 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.483 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -65.36 -27.81 68.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.364 179.631 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -76.62 -41.19 46.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.412 179.538 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -77.4 -29.89 53.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.828 ' CD1' HG23 ' A' ' 76' ' ' THR . 1.4 tm? -80.68 -57.46 3.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.043 -179.831 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.586 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -51.1 -50.36 58.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.465 -179.893 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -56.42 -47.86 78.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.01 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 t -67.64 -26.52 66.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.564 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -85.44 79.6 9.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.454 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 170.84 133.33 1.6 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.591 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.861 HD12 ' HB3' ' A' ' 53' ' ' GLN . 3.0 mm? -85.73 129.7 53.68 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.472 0.177 . . . . 0.0 110.684 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.81 -75.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.308 2.005 . . . . 0.0 112.476 -179.762 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.57 -80.73 0.13 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.802 0.334 . . . . 0.0 111.476 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -54.95 -40.98 70.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.513 -179.447 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.861 ' HB3' HD12 ' A' ' 49' ' ' LEU . 2.0 mt-30 -52.82 -30.29 32.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.137 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.663 ' HA ' HG12 ' A' ' 57' ' ' VAL . 29.1 t-80 -90.01 -34.47 15.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.002 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.89 -18.05 58.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.488 -179.74 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.507 ' HZ ' ' HB3' ' A' ' 126' ' ' ALA . 0.0 OUTLIER -100.05 -47.45 4.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 111.103 -179.74 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.989 HG23 HD12 ' A' ' 65' ' ' LEU . 14.6 p -66.56 -10.12 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.256 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.1 t -122.73 -43.06 2.28 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -179.576 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.86 -10.01 56.05 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.148 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -127.84 -58.74 1.22 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.783 0.325 . . . . 0.0 111.474 -179.735 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.432 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -46.48 149.87 1.3 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.692 -179.597 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -74.02 160.24 43.25 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.752 2.301 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.401 ' HG2' ' N ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -47.39 -29.44 2.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.215 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.401 ' N ' ' HG2' ' A' ' 63' ' ' GLN . 21.4 m -62.76 -42.77 99.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.693 179.792 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.989 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -71.21 -32.21 68.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.664 179.782 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -76.03 -32.92 59.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 179.892 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -59.13 -47.04 86.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.761 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -71.01 -27.83 63.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.406 ' OH ' HD23 ' A' ' 49' ' ' LEU . 13.4 t80 -57.67 -63.34 1.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -67.84 -29.4 68.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 -179.803 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -62.05 -63.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.07 -179.882 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.741 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.3 pp -58.92 -40.63 85.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.055 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.741 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.3 t80 -71.3 -30.31 66.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.074 -179.888 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.57 -42.5 71.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.942 0.401 . . . . 0.0 110.62 179.793 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -78.0 -23.2 48.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.822 179.603 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.828 HG23 ' CD1' ' A' ' 43' ' ' LEU . 89.6 m -78.3 -31.78 49.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -77.08 -27.96 54.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 -179.721 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.43 -33.22 16.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.287 -179.723 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.514 HG22 ' HA ' ' A' ' 76' ' ' THR . 15.2 t -67.1 -45.15 78.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.086 -179.75 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.602 HD21 ' HB3' ' A' ' 43' ' ' LEU . 21.2 mt -56.87 -37.91 71.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 -179.856 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -57.96 -41.2 82.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.053 -179.888 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 77.4 mtm -61.06 -26.61 67.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.033 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.07 -26.17 60.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.411 -179.829 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.06 39.2 1.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.103 -179.843 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.437 ' SD ' HG22 ' A' ' 96' ' ' ILE . 2.2 mtm -130.57 -47.34 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.428 -179.854 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.18 -68.67 0.18 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.114 -179.27 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.16 71.39 0.07 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.281 -179.489 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -33.19 74.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.634 179.728 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -59.26 -39.83 84.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.818 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.0 mtm -88.81 -41.93 12.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.018 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.0 t -166.73 131.69 2.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.185 -179.832 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.612 ' O ' ' N ' ' A' ' 94' ' ' SER . . . 134.88 -84.8 0.27 Allowed Glycine 0 CA--C 1.508 -0.361 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.662 179.742 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 92' ' ' GLY . . . 22.19 35.79 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 179.455 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.612 ' N ' ' O ' ' A' ' 92' ' ' GLY . 17.8 p -121.4 176.08 5.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.78 0.324 . . . . 0.0 110.906 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.93 88.51 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.378 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.437 HG22 ' SD ' ' A' ' 85' ' ' MET . 48.0 pt -97.09 -177.8 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.925 0.393 . . . . 0.0 111.258 -179.819 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -55.94 166.76 1.0 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.908 179.836 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.27 55.98 4.26 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.966 2.444 . . . . 0.0 112.332 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 88.57 125.11 2.38 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.789 179.804 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.571 ' HE3' ' O ' ' A' ' 101' ' ' LEU . 1.8 ttp -147.78 141.66 25.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.715 0.293 . . . . 0.0 110.649 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.571 ' O ' ' HE3' ' A' ' 100' ' ' MET . 0.8 OUTLIER -77.84 133.91 65.39 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.463 179.648 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.489 ' O ' HD11 ' A' ' 36' ' ' LEU . 50.6 Cg_exo -53.71 -18.97 13.27 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.632 2.222 . . . . 0.0 113.067 -179.481 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.619 ' HA ' HG22 ' A' ' 106' ' ' VAL . 2.8 p80 -87.7 -8.67 55.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.621 0.248 . . . . 0.0 111.517 -179.728 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.65 -35.67 79.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.84 0.352 . . . . 0.0 110.8 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.41 ' OD1' HG13 ' A' ' 106' ' ' VAL . 4.5 p30 -78.47 -49.28 13.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.619 HG22 ' HA ' ' A' ' 103' ' ' HIS . 19.8 m -56.1 -41.58 69.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.908 0.385 . . . . 0.0 111.117 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.442 ' N ' HG23 ' A' ' 106' ' ' VAL . 30.3 t0 -61.18 -46.66 89.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -72.23 -28.58 63.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.798 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.414 ' HE3' ' HB3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -65.38 -65.38 0.68 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.715 179.868 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.45 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -47.98 -31.55 5.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 179.857 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.5 m -60.53 -38.62 85.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.381 179.477 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.636 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -58.76 -39.92 82.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.901 179.672 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.45 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.8 OUTLIER -61.33 -32.96 54.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.986 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 12.3 p -57.98 -52.31 66.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.048 0.451 . . . . 0.0 110.03 179.516 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -72.4 -46.44 55.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.422 179.316 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.454 ' CH2' ' N ' ' A' ' 48' ' ' GLY . 34.0 m95 -58.93 -54.8 43.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.933 179.838 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.1 t -51.01 -42.99 60.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.004 0.43 . . . . 0.0 110.602 179.775 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -63.43 -35.76 81.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.511 179.653 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.2 ttt -74.75 -33.68 62.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.763 179.833 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -53.02 -42.81 66.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -81.27 -33.94 32.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.8 -59.74 2.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.296 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.97 -46.62 61.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.52 ' O ' HD12 ' A' ' 129' ' ' ILE . 5.6 mt-30 -58.87 -39.82 82.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -70.92 -54.59 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.202 -179.734 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.507 ' HB3' ' HZ ' ' A' ' 56' ' ' PHE . . . -58.17 -39.0 77.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.333 -179.724 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 7.7 ttm -56.54 -45.3 81.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 145.49 40.01 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.6 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.52 HD12 ' O ' ' A' ' 124' ' ' GLN . 6.7 mt -129.15 157.85 41.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.477 ' N ' HG22 ' A' ' 129' ' ' ILE . 34.3 m170 -133.61 107.34 7.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -117.94 152.38 35.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.41 86.65 2.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.14 179.94 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.868 0.366 . . . . 0.0 111.236 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -115.7 143.47 45.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 179.908 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.2 m -57.15 161.83 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.946 179.665 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.2 p -56.76 145.78 28.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.5 p -53.53 -35.71 60.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.821 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -72.43 -27.86 62.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.809 179.778 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.458 ' HA ' ' HB3' ' A' ' 38' ' ' SER . 64.7 tp60 -69.7 -48.24 60.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.513 HD13 ' HB2' ' A' ' 86' ' ' GLN . 88.5 mt -52.92 -45.67 67.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.256 179.562 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 pp -81.24 -23.84 37.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.634 179.125 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.458 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 13.2 t -61.08 -34.35 74.77 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.909 0.385 . . . . 0.0 110.685 179.762 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.677 HG23 ' CE ' ' A' ' 109' ' ' MET . 3.1 m -83.36 -36.57 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.184 -179.902 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.595 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -64.66 -26.8 68.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.904 0.383 . . . . 0.0 110.082 179.511 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -81.99 -37.03 27.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.643 179.549 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -80.36 -36.44 34.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.25 -179.807 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.794 ' CD1' HG23 ' A' ' 76' ' ' THR . 0.1 OUTLIER -73.88 -63.67 1.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.734 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.508 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -47.54 -45.18 26.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.548 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -57.27 -52.72 64.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.577 ' CB ' HD11 ' A' ' 113' ' ' ILE . 46.5 m -65.4 -31.54 72.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 48' ' ' GLY . . . -71.16 -165.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.462 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 34.02 100.84 0.01 OUTLIER Glycine 0 C--N 1.333 0.395 0 CA-C-N 115.845 -0.616 . . . . 0.0 114.0 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.635 ' CD1' HG11 ' A' ' 57' ' ' VAL . 34.1 mt -48.96 153.39 1.53 Allowed Pre-proline 0 C--N 1.331 -0.211 0 CA-C-O 120.744 0.307 . . . . 0.0 111.112 179.786 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -61.91 -80.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.526 2.151 . . . . 0.0 112.406 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.17 -69.15 0.23 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.857 0.36 . . . . 0.0 111.177 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -55.63 -39.35 70.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 -179.73 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.501 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -55.37 -42.41 73.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.066 -179.849 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.531 ' HA ' HG12 ' A' ' 57' ' ' VAL . 23.5 t-80 -68.06 -41.11 82.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.955 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.93 -21.03 26.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.468 -179.682 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.416 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 4.0 t80 -95.91 -51.96 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.222 -179.635 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.924 HG23 HD12 ' A' ' 65' ' ' LEU . 11.3 p -67.51 -9.8 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.053 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.09 -31.28 3.37 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -179.097 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.69 -9.79 21.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.796 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -131.67 -62.34 0.87 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.342 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.514 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -37.41 151.73 0.13 Allowed Pre-proline 0 N--CA 1.464 0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.234 -179.307 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.18 160.26 49.59 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.938 2.425 . . . . 0.0 112.571 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.2 -46.33 23.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.353 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.97 -31.9 61.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.954 0.407 . . . . 0.0 110.797 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.924 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -83.3 -31.66 26.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.732 179.779 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.18 -52.97 8.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.403 -179.804 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -57.96 -39.97 79.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.296 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.426 HH21 ' HE3' ' A' ' 119' ' ' MET . 13.3 ptt180 -69.74 -29.7 67.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.87 0.367 . . . . 0.0 110.816 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.428 ' CE1' HD11 ' A' ' 49' ' ' LEU . 86.6 t80 -58.06 -68.73 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.064 -179.884 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -56.99 -25.03 57.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.216 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.66 -64.08 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.255 -179.784 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.886 HD12 ' N ' ' A' ' 73' ' ' TYR . 3.4 pp -54.75 -28.43 48.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.325 -179.655 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.886 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.7 t80 -83.15 -34.66 25.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.926 179.814 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.82 -44.38 28.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.013 0.435 . . . . 0.0 110.582 179.732 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.827 ' O ' HG23 ' A' ' 79' ' ' THR . 0.1 OUTLIER -75.61 -39.04 58.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.194 179.305 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.794 HG23 ' CD1' ' A' ' 43' ' ' LEU . 99.1 m -59.52 -50.05 75.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.948 179.73 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.437 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 2.2 mt-30 -59.49 -32.38 70.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.002 -179.702 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.4 ' HB2' ' NH1' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -84.05 -36.32 23.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.011 -179.808 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.827 HG23 ' O ' ' A' ' 75' ' ' HIS . 40.5 p -60.84 -47.51 86.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.154 -179.737 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.611 HD21 ' HB3' ' A' ' 43' ' ' LEU . 3.9 mt -56.75 -31.61 64.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.372 . . . . 0.0 110.499 179.83 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.415 ' O ' ' HG3' ' A' ' 85' ' ' MET . 0.3 OUTLIER -57.79 -60.27 3.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.385 179.573 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 59.1 mtm -53.93 -24.18 15.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.811 179.346 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.595 ' HB2' ' HE1' ' A' ' 109' ' ' MET . . . -69.92 -45.43 67.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.331 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.543 ' O ' HG21 ' A' ' 91' ' ' THR . 2.8 t0 -94.67 53.92 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.597 -179.52 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.415 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 39.8 mtt -130.18 -47.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.013 0.435 . . . . 0.0 110.767 179.505 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.513 ' HB2' HD13 ' A' ' 36' ' ' LEU . 11.6 tp60 -48.51 -29.91 4.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.262 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.572 ' HB2' HG22 ' A' ' 91' ' ' THR . 7.2 m80 -69.73 71.19 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.652 179.895 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.587 ' HA ' ' HB2' ' A' ' 93' ' ' ALA . 15.2 mtm105 -59.45 -18.4 39.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.473 -179.74 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -98.48 -29.89 12.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.617 0.246 . . . . 0.0 111.612 -179.386 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 4.3 mtm -94.27 -39.49 10.49 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.321 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.572 HG22 ' HB2' ' A' ' 87' ' ' HIS . 13.6 t -118.49 -164.98 1.07 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.351 . . . . 0.0 111.239 -179.506 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.98 103.75 3.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.665 -179.659 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.587 ' HB2' ' HA ' ' A' ' 88' ' ' ARG . . . -93.62 34.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.311 . . . . 0.0 111.216 179.831 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 96' ' ' ILE . 50.4 m -99.43 -114.42 0.16 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.85 -179.679 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.37 75.45 0.02 OUTLIER Glycine 0 C--N 1.335 0.508 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.916 -179.681 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 94' ' ' SER . 26.8 pt -107.7 -174.52 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.725 0.298 . . . . 0.0 110.905 179.8 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -52.06 166.76 0.38 Allowed Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.932 179.846 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.22 47.16 1.96 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.991 2.461 . . . . 0.0 112.91 -179.578 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 60.87 125.07 0.01 OUTLIER Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.832 179.719 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.34 177.0 9.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.693 0.282 . . . . 0.0 110.764 179.712 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 3.4 mt -56.12 131.91 74.63 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.588 179.834 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 101' ' ' LEU . 33.2 Cg_exo -57.89 -19.84 41.47 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.381 2.054 . . . . 0.0 112.52 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.485 ' HA ' HG22 ' A' ' 106' ' ' VAL . 12.1 p80 -100.88 -8.79 22.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.621 -179.722 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.51 -32.68 3.51 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.875 0.369 . . . . 0.0 111.207 -179.844 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.484 ' OD1' HG13 ' A' ' 106' ' ' VAL . 2.6 p30 -79.21 -58.99 2.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.38 -179.716 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.579 HG12 HG21 ' A' ' 39' ' ' VAL . 35.8 m -55.25 -48.41 76.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.484 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.52 ' N ' HG23 ' A' ' 106' ' ' VAL . 6.3 t0 -61.54 -57.18 13.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.969 0.414 . . . . 0.0 110.78 -179.826 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -60.87 -19.48 60.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.006 179.797 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.677 ' CE ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -67.88 -59.52 3.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.867 0.365 . . . . 0.0 110.696 179.842 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.586 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -51.82 -27.12 11.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.714 179.939 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.1 t -67.04 -39.64 86.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.396 179.52 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.615 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -61.42 -44.58 96.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.978 179.801 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.586 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.6 OUTLIER -62.75 -27.96 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.898 179.91 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 75.8 m -60.51 -40.39 91.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.008 0.432 . . . . 0.0 110.135 179.553 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.426 ' HB3' HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -83.75 -41.31 17.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.737 179.51 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.514 ' NE1' HD13 ' A' ' 72' ' ' LEU . 51.3 m95 -67.9 -43.44 79.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 113' ' ' ILE . 72.9 m -57.76 -48.94 78.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.043 0.449 . . . . 0.0 110.068 179.316 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -59.02 -32.57 69.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.155 179.191 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.426 ' HE3' HH21 ' A' ' 68' ' ' ARG . 1.7 ttt -71.32 -36.56 71.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.591 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -48.74 60.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.794 179.764 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -83.51 -42.26 17.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.057 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.65 -59.92 4.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.292 -179.801 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.818 HD21 ' HB ' ' A' ' 57' ' ' VAL . 4.9 tp -55.45 -42.71 74.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.211 -179.835 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -58.74 -50.6 73.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.361 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -61.82 -45.25 94.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.54 -34.94 78.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 25.0 ttm -57.53 -30.52 65.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 128.87 35.63 0.47 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.621 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 130' ' ' HIS . 23.3 mt -128.08 156.32 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 111.052 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.448 ' N ' HG22 ' A' ' 129' ' ' ILE . 11.8 m170 -114.05 118.23 33.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -98.22 144.03 28.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.053 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -146.57 90.77 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.117 179.984 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.836 0.35 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.483 ' ND2' ' HB3' ' A' ' 103' ' ' HIS . 0.6 OUTLIER -166.22 -172.9 2.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.911 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.784 HG23 ' CD2' ' A' ' 36' ' ' LEU . 2.6 m -54.0 178.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.29 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.683 HG23 ' H ' ' A' ' 35' ' ' GLN . 12.4 t -85.26 173.96 9.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.058 -179.855 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.5 p -72.38 -35.7 68.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.656 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.9 m -65.93 -31.42 72.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.69 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.683 ' H ' HG23 ' A' ' 32' ' ' THR . 10.0 tp-100 -79.29 -36.11 40.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.662 179.867 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.784 ' CD2' HG23 ' A' ' 31' ' ' VAL . 1.9 mm? -53.93 -46.47 71.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.986 0.422 . . . . 0.0 110.211 179.532 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.515 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 3.4 pp -78.61 -18.35 54.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.643 179.237 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -70.19 -28.41 65.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.801 0.334 . . . . 0.0 110.719 179.758 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.632 HG13 ' CE ' ' A' ' 109' ' ' MET . 9.9 p -88.15 -29.97 5.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.173 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -75.26 -26.71 59.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 110.253 179.556 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -78.13 -35.74 48.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.94 179.088 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -77.67 -34.59 52.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.714 179.601 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.764 ' CD1' HG23 ' A' ' 76' ' ' THR . 1.1 tm? -78.8 -54.12 6.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.817 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.5 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -54.21 -45.38 72.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.262 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -57.54 -55.45 34.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 m -60.58 -29.24 69.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.783 179.799 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.437 ' HA ' ' CE2' ' A' ' 116' ' ' TRP . . . -77.21 68.18 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.46 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . -176.75 128.19 1.31 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.428 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.718 HD12 ' HB3' ' A' ' 53' ' ' GLN . 2.9 mm? -79.86 137.7 54.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.57 0.224 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.58 -78.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.495 2.13 . . . . 0.0 112.338 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.17 -70.41 0.22 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.856 0.36 . . . . 0.0 111.18 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -61.66 -31.26 71.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.244 -179.726 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.718 ' HB3' HD12 ' A' ' 49' ' ' LEU . 6.0 mt-30 -57.6 -36.2 71.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.019 -179.877 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.598 ' HA ' HG12 ' A' ' 57' ' ' VAL . 27.4 t-80 -83.88 -38.71 20.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -19.18 50.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.388 -179.843 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.428 ' CE2' ' HG ' ' A' ' 123' ' ' LEU . 0.8 OUTLIER -98.0 -49.89 4.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.753 0.311 . . . . 0.0 111.022 -179.756 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.009 HG23 HD12 ' A' ' 65' ' ' LEU . 13.5 p -69.37 -9.85 12.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.133 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 t -123.02 -35.48 3.0 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -179.196 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.44 -9.84 31.53 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.881 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -130.36 -59.91 1.02 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.769 0.319 . . . . 0.0 111.798 -179.494 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.49 149.97 0.55 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.903 -179.402 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.15 160.24 49.69 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.796 2.331 . . . . 0.0 112.351 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 -50.64 -29.38 10.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.08 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -44.3 97.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.6 179.795 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.009 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -69.59 -32.14 70.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.581 179.816 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -74.97 -32.91 61.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.67 179.749 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -58.45 -45.44 88.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.725 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -74.09 -27.36 60.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.831 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.451 ' OH ' HD23 ' A' ' 49' ' ' LEU . 13.4 t80 -55.95 -54.95 38.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.958 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -75.12 -31.94 61.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.9 -59.22 5.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.992 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.1 pp -57.1 -34.42 68.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.603 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.2 t80 -79.19 -27.63 42.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.981 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.01 -47.61 71.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.959 0.409 . . . . 0.0 110.793 179.823 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -74.79 -31.93 61.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.538 179.579 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.764 HG23 ' CD1' ' A' ' 43' ' ' LEU . 53.0 m -63.15 -46.41 87.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 78' ' ' ARG . 1.2 pt20 -63.84 -31.64 72.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.961 -179.876 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.423 ' N ' ' HG3' ' A' ' 77' ' ' GLN . 0.1 OUTLIER -79.86 -51.38 9.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.509 179.837 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.9 p -52.93 -33.18 49.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.5 HD13 ' HB2' ' A' ' 44' ' ' ALA . 43.3 mt -72.08 -30.54 65.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.602 179.654 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.32 -50.6 67.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.624 179.799 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.499 ' HA ' ' HE2' ' A' ' 85' ' ' MET . 15.5 mtp -55.87 -29.41 59.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.658 179.677 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.411 ' CB ' ' HB3' ' A' ' 40' ' ' ARG . . . -60.53 -44.31 96.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.416 179.373 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.672 ' OD2' HG21 ' A' ' 91' ' ' THR . 0.4 OUTLIER -88.96 48.83 1.68 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.544 179.439 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.499 ' HE2' ' HA ' ' A' ' 82' ' ' MET . 0.8 OUTLIER -130.28 -40.22 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.156 -179.68 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.449 ' HG3' ' HG3' ' A' ' 102' ' ' PRO . 0.9 OUTLIER -60.59 -23.86 65.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.504 -179.765 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.498 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 21.7 m80 -66.47 71.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.807 0.337 . . . . 0.0 111.451 -179.543 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -16.48 46.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.452 179.812 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -96.34 -29.89 13.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.617 0.246 . . . . 0.0 111.608 -179.54 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.3 mtm -102.54 -44.92 5.21 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -179.333 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.672 HG21 ' OD2' ' A' ' 84' ' ' ASP . 8.9 t -167.49 71.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.909 0.385 . . . . 0.0 110.934 -179.662 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 85' ' ' MET . . . -167.64 44.94 0.24 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.537 -179.886 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -140.73 34.06 1.8 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.866 0.365 . . . . 0.0 111.316 -179.593 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.7 m -126.8 -168.59 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.733 179.842 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.17 95.28 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.434 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.1 pt -128.37 -176.91 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.799 0.333 . . . . 0.0 111.226 -179.88 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -55.4 166.15 0.98 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -69.2 56.7 1.17 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.885 2.39 . . . . 0.0 112.351 -179.868 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 63.45 124.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.656 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.456 ' HE1' ' HA ' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -138.28 152.74 48.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.668 0.27 . . . . 0.0 110.718 179.841 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.514 HD13 ' HE1' ' A' ' 103' ' ' HIS . 0.3 OUTLIER -81.36 129.32 66.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.733 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.594 ' HB3' HD21 ' A' ' 36' ' ' LEU . 85.8 Cg_exo -51.81 -38.98 68.44 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.199 2.599 . . . . 0.0 113.932 -178.647 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.514 ' HE1' HD13 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -59.12 -18.66 37.64 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.237 -179.704 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.3 -46.42 90.36 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.846 0.355 . . . . 0.0 110.606 179.713 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.438 ' HB3' ' HB2' ' A' ' 82' ' ' MET . 15.2 p30 -74.65 -30.89 61.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.807 179.867 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 102' ' ' PRO . 41.9 t -63.19 -66.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.095 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.22 -39.77 60.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -67.38 -35.23 78.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.632 ' CE ' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -61.21 -43.8 98.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.316 179.682 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.525 ' O ' HG22 ' A' ' 113' ' ' ILE . 5.8 mtt180 -60.56 -29.06 68.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.295 179.435 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.0 t -59.66 -44.46 93.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.342 179.526 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.425 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -57.99 -37.23 73.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.878 179.62 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.525 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.8 OUTLIER -62.99 -32.06 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.949 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 8.2 p -59.11 -52.9 63.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.102 0.477 . . . . 0.0 109.86 179.402 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -48.39 56.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.147 179.145 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.483 ' CD1' HD13 ' A' ' 72' ' ' LEU . 31.9 m95 -56.86 -56.15 25.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.818 179.599 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 70.2 m -51.72 -43.15 62.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.987 0.422 . . . . 0.0 110.555 179.615 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -61.54 -32.54 72.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.34 179.497 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.9 ttm -71.51 -35.45 70.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.626 179.74 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -53.67 -46.07 70.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.689 179.786 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -85.94 -39.06 17.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.71 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.94 -58.49 6.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.171 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.782 HD21 ' HB ' ' A' ' 57' ' ' VAL . 5.9 tp -57.63 -45.4 85.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -58.34 -42.2 86.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.827 179.837 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -69.36 -53.99 16.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.009 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.75 -34.27 65.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.407 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 26.0 ttm -65.73 -31.37 72.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.763 179.865 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 123.92 41.73 0.4 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.314 -179.905 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 130' ' ' HIS . 27.6 mt -130.97 159.47 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.341 . . . . 0.0 111.205 -179.89 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.481 ' N ' HG22 ' A' ' 129' ' ' ILE . 65.3 m80 -133.54 118.58 18.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -86.73 154.97 20.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -142.97 84.6 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.145 179.934 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.767 0.317 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.415 ' CB ' ' HB3' ' A' ' 102' ' ' PRO . 2.7 m120 -119.82 140.66 50.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.832 HG23 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -47.42 168.35 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.061 179.922 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 32' ' ' THR . 3.7 p -56.86 142.85 39.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.724 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 p -57.46 -32.12 66.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 p -70.21 -31.47 68.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.649 179.842 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.574 ' O ' HG23 ' A' ' 39' ' ' VAL . 4.8 tp-100 -70.86 -44.89 65.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.699 179.846 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.832 HD21 HG23 ' A' ' 31' ' ' VAL . 4.3 mm? -52.94 -49.68 65.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.227 179.472 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.463 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 1.7 pp -81.32 -17.55 48.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.363 179.805 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.558 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 2.5 m -71.46 -23.66 61.86 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.813 0.339 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.611 HG21 HG13 ' A' ' 106' ' ' VAL . 13.2 t -90.59 -44.57 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.518 179.796 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.463 ' CG ' ' HA ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -60.14 -27.67 67.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.995 0.426 . . . . 0.0 110.128 179.072 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -76.72 -42.74 40.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.225 179.389 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -75.33 -27.72 59.35 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.983 179.798 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.726 HD13 HG23 ' A' ' 76' ' ' THR . 0.0 OUTLIER -77.37 -67.67 0.69 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.741 179.953 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.639 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -46.99 -44.14 19.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.627 -179.789 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -55.03 -59.01 5.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.841 0.353 . . . . 0.0 110.962 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -66.26 -28.22 68.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.63 ' HB1' ' CE1' ' A' ' 73' ' ' TYR . . . -73.61 66.54 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.446 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 174.21 120.28 0.58 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.544 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.808 HD12 ' HB3' ' A' ' 53' ' ' GLN . 3.1 mm? -73.78 139.18 76.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.522 0.201 . . . . 0.0 110.733 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 22.3 Cg_exo -63.3 -73.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.319 2.012 . . . . 0.0 112.293 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.3 ttt-85 -148.52 -70.82 0.21 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.835 0.35 . . . . 0.0 111.35 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -58.47 -42.39 87.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.294 -179.545 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.808 ' HB3' HD12 ' A' ' 49' ' ' LEU . 28.7 mt-30 -52.65 -29.61 27.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.135 -179.744 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.424 ' HA ' HG12 ' A' ' 57' ' ' VAL . 27.0 t-80 -89.99 -37.28 14.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.963 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.98 -20.66 39.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.391 -179.808 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -97.47 -60.75 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 110.981 -179.803 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.795 HG23 HD12 ' A' ' 65' ' ' LEU . 9.4 p -58.97 -13.95 4.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -179.204 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.422 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 23.1 t -118.89 -31.33 4.81 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.219 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.93 -9.8 16.93 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -125.06 -63.83 1.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.701 0.286 . . . . 0.0 111.681 -179.466 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.59 149.96 0.37 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.99 -179.346 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.94 160.24 48.2 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.823 2.348 . . . . 0.0 112.635 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.91 -33.37 10.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.231 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.5 p -58.74 -47.13 85.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.708 179.888 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.795 HD12 HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -72.29 -37.06 69.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.592 179.634 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -60.55 -39.15 86.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.56 179.735 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -61.12 -40.58 94.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.205 179.389 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -32.25 73.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.583 179.506 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.545 ' CE2' HD23 ' A' ' 49' ' ' LEU . 10.7 t80 -55.91 -67.76 0.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.201 -179.863 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -64.91 -28.03 69.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 -179.761 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -60.01 -71.32 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.261 -179.701 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.819 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -52.68 -38.43 60.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.5 -179.538 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.819 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.7 t80 -72.16 -30.63 65.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.163 -179.741 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.8 t -55.83 -37.51 68.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.614 179.767 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.502 ' O ' HG23 ' A' ' 79' ' ' THR . 47.2 m-70 -78.58 -28.21 45.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.865 179.785 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.726 HG23 HD13 ' A' ' 43' ' ' LEU . 18.2 m -73.94 -40.55 63.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.207 -179.851 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -68.6 -31.77 71.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.483 -179.347 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -88.38 -9.44 52.66 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -179.445 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 75' ' ' HIS . 3.3 p -92.87 -43.42 8.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.557 0.218 . . . . 0.0 111.298 -179.689 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.639 HD22 ' HB2' ' A' ' 44' ' ' ALA . 1.8 mt -51.91 -26.12 9.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.742 0.306 . . . . 0.0 111.043 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.52 -43.8 96.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.587 179.629 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 65.5 mtm -68.66 -27.6 66.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.745 179.732 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.42 ' CB ' ' HB3' ' A' ' 40' ' ' ARG . . . -61.28 -52.1 66.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.004 179.931 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.529 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 1.7 p30 -88.95 51.5 2.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.8 179.877 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.6 tpt -130.48 -37.05 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.928 -179.578 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -73.57 -5.17 38.59 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.082 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.529 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 71.3 m80 -70.3 71.43 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 111.126 -179.882 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.16 -20.81 4.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.726 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -91.86 -29.8 16.51 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -179.385 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 46.9 mtm -110.58 -48.48 3.15 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 87' ' ' HIS . 4.8 t -157.74 65.76 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.881 0.372 . . . . 0.0 111.207 -179.355 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -160.73 44.64 0.41 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.399 179.627 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -146.62 34.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.891 0.377 . . . . 0.0 111.209 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.3 m -140.07 -166.4 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.761 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.18 90.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.511 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 35.4 pt -116.48 -176.6 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 111.161 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -50.77 166.34 0.31 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.022 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.76 56.0 1.34 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.86 2.373 . . . . 0.0 112.624 -179.878 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.92 108.38 0.01 OUTLIER Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.947 179.731 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.532 ' HE3' ' O ' ' A' ' 101' ' ' LEU . 1.1 ptt? -127.82 175.27 8.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.754 0.312 . . . . 0.0 110.787 179.706 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.532 ' O ' ' HE3' ' A' ' 100' ' ' MET . 1.2 mt -71.62 156.54 91.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.766 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.415 ' HB3' ' CB ' ' A' ' 30' ' ' ASN . 72.2 Cg_endo -76.09 -42.03 0.44 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.651 2.234 . . . . 0.0 112.464 -179.847 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -77.37 -8.93 58.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.538 -179.687 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -48.21 -56.54 7.68 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.841 0.353 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.548 ' OD1' HG23 ' A' ' 106' ' ' VAL . 5.6 p30 -60.14 -51.86 67.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.908 179.932 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.611 HG13 HG21 ' A' ' 39' ' ' VAL . 24.6 t -54.85 -56.61 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.597 -179.817 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.01 -48.92 64.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.387 -179.657 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.448 ' HB3' HG21 ' A' ' 79' ' ' THR . 0.7 OUTLIER -73.2 -31.62 64.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.973 -179.833 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.486 ' SD ' HD12 ' A' ' 43' ' ' LEU . 4.2 mtm -70.17 -57.35 5.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.855 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.574 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -53.84 -25.64 20.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.95 0.405 . . . . 0.0 110.389 179.417 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -66.77 -38.49 86.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.151 179.324 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.72 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -57.21 -37.03 71.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.588 179.483 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.574 HG22 ' O ' ' A' ' 110' ' ' ARG . 1.5 tp -66.51 -31.84 55.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.433 179.56 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 63.0 m -56.44 -38.12 71.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.151 179.38 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.69 -46.48 11.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.207 179.274 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.543 ' CD1' HD13 ' A' ' 72' ' ' LEU . 24.9 m95 -58.13 -52.52 65.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.491 179.533 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.0 t -54.4 -47.06 73.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.453 179.46 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -60.54 -32.95 71.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.406 179.473 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 6.1 ttt -68.77 -38.55 80.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.62 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 33.8 ttt-85 -54.04 -39.34 66.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.695 179.81 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -83.44 -33.92 25.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.794 179.755 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.91 -59.32 2.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.7 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -53.66 -43.49 68.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.996 179.942 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -58.7 -43.35 90.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -67.88 -50.9 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.807 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.59 89.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 20.0 ttm -56.91 -37.1 70.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 133.63 43.07 0.14 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.638 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 130' ' ' HIS . 31.0 mt -127.72 156.29 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 111.063 179.916 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.438 ' N ' HG22 ' A' ' 129' ' ' ILE . 2.2 m80 -131.28 125.82 33.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.544 ' HB1' HD11 ' A' ' 133' ' ' ILE . . . -93.97 154.12 17.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -139.97 85.65 2.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.544 HD11 ' HB1' ' A' ' 131' ' ' ALA . 3.7 mp . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.253 -0.88 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.765 0.317 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -60.08 172.41 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.903 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.707 HG23 ' CD2' ' A' ' 36' ' ' LEU . 2.4 m -74.29 177.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.985 179.756 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 t -69.98 155.2 40.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 111.072 -179.842 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.0 p -55.19 -40.11 70.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 179.906 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 m -64.57 -30.31 71.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.483 179.517 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.524 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -67.79 -46.09 72.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.65 179.789 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.752 HD11 ' O ' ' A' ' 102' ' ' PRO . 4.2 mm? -52.95 -47.91 67.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.055 0.455 . . . . 0.0 110.011 179.376 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.48 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 1.3 pp -81.38 -18.62 44.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.293 179.62 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.449 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 27.8 t -71.01 -28.05 64.13 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.714 0.293 . . . . 0.0 111.253 -179.625 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 35' ' ' GLN . 6.6 t -88.65 -41.41 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 0.0 110.884 -179.886 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.499 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -63.16 -26.1 68.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.961 0.41 . . . . 0.0 110.226 179.409 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -78.13 -39.16 42.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.17 179.233 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -80.91 -30.78 35.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.033 179.851 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.774 HD11 ' HB3' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -75.61 -53.67 8.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.041 -179.799 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.583 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . . . -57.21 -35.89 70.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.085 179.905 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -59.3 -46.31 88.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.719 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.9 m -78.13 -25.88 47.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.805 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.825 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -74.16 78.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.345 -179.906 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.92 123.29 0.65 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.668 179.874 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.519 HD11 HG11 ' A' ' 57' ' ' VAL . 20.7 mt -73.0 144.23 84.92 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.615 0.245 . . . . 0.0 110.672 179.871 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.45 -83.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.382 2.055 . . . . 0.0 112.297 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.24 -67.37 0.24 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.81 0.338 . . . . 0.0 111.074 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -63.98 -31.0 72.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 -179.873 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.44 ' HG2' HD23 ' A' ' 123' ' ' LEU . 0.3 OUTLIER -56.21 -42.14 76.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.997 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.549 ' HA ' HG12 ' A' ' 57' ' ' VAL . 18.3 t-80 -73.99 -36.32 64.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.045 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.42 -21.68 38.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.442 -179.738 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.401 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 1.7 t80 -96.61 -53.92 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 111.088 -179.699 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.906 HG23 HD12 ' A' ' 65' ' ' LEU . 12.1 p -65.87 -9.69 8.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -179.406 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.469 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 9.0 t -113.88 -38.5 4.21 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -178.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.1 t -106.89 -9.96 16.16 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -178.689 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -117.38 -66.41 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.722 0.296 . . . . 0.0 111.485 -179.634 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.98 150.29 0.61 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.643 -179.656 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.15 160.1 49.03 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.666 2.244 . . . . 0.0 112.341 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.36 -38.02 62.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.061 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.6 p -56.76 -41.06 76.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.746 179.82 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.906 HD12 HG23 ' A' ' 57' ' ' VAL . 0.8 OUTLIER -67.44 -30.83 70.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.631 179.738 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -75.09 -32.95 61.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.789 179.87 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -58.89 -45.64 89.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -73.61 -26.52 60.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -57.76 -54.19 49.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -71.1 -30.35 66.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -60.24 -57.87 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.06 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.861 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.0 pp -58.34 -36.37 73.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.011 -179.881 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.861 ' N ' HD12 ' A' ' 72' ' ' LEU . 3.5 t80 -75.8 -30.39 59.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.847 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.8 p -54.76 -37.84 66.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.019 0.438 . . . . 0.0 110.386 179.613 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.421 ' O ' HG22 ' A' ' 79' ' ' THR . 11.0 m170 -81.47 -26.08 35.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.523 179.415 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.825 HG21 ' CB ' ' A' ' 47' ' ' ALA . 17.6 m -72.88 -36.1 67.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -74.89 -32.39 61.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 -179.654 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.37 -38.45 18.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.181 -179.912 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.541 HG22 ' HA ' ' A' ' 76' ' ' THR . 14.7 t -62.43 -46.76 87.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 110.955 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.583 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 62.8 mt -55.78 -35.1 65.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -63.45 -54.43 36.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 61.7 mtm -57.61 -22.31 44.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.24 25.11 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.318 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -138.91 26.33 2.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.854 ' CE ' HD11 ' A' ' 96' ' ' ILE . 8.2 mtm -130.14 -41.1 1.28 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 -179.857 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -42.52 -29.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.044 -179.569 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.64 44.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.342 . . . . 0.0 111.079 -179.796 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.409 ' HA ' ' HD2' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -52.5 -31.15 33.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.116 179.865 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -58.31 -71.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.393 -179.608 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.0 ptp -60.8 -49.91 75.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.386 -179.542 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.0 t -113.82 146.08 40.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.135 -179.785 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -100.54 77.12 0.42 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.308 179.818 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.06 -68.6 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 111.298 -179.86 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 94.8 p -178.42 139.29 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.803 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.96 92.37 1.69 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.638 -179.871 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.854 HD11 ' CE ' ' A' ' 85' ' ' MET . 22.0 pt -135.1 177.41 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.372 . . . . 0.0 111.187 179.87 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -61.83 164.53 9.83 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.059 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 99' ' ' GLY . 12.3 Cg_exo -70.0 59.16 1.73 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.763 2.309 . . . . 0.0 111.861 179.596 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 98' ' ' PRO . . . -20.25 -54.9 0.01 OUTLIER Glycine 0 C--N 1.337 0.587 0 CA-C-N 115.866 -0.606 . . . . 0.0 114.194 -179.707 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.413 ' HG2' ' HB2' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -164.91 -179.94 6.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.38 . . . . 0.0 111.197 -179.816 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.524 HD13 ' NE2' ' A' ' 103' ' ' HIS . 0.3 OUTLIER -72.57 135.97 81.06 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.694 179.855 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.752 ' O ' HD11 ' A' ' 36' ' ' LEU . 57.9 Cg_exo -51.69 -21.91 12.14 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.576 2.184 . . . . 0.0 112.924 -179.655 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.524 ' NE2' HD13 ' A' ' 101' ' ' LEU . 25.0 p80 -84.01 -23.35 30.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.615 0.245 . . . . 0.0 111.285 -179.738 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.426 ' CG ' HD12 ' A' ' 101' ' ' LEU . 5.3 mm-40 -52.76 -50.88 62.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.803 0.335 . . . . 0.0 110.657 179.728 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.503 ' O ' ' HG2' ' A' ' 109' ' ' MET . 4.7 p30 -59.02 -47.35 85.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.226 179.399 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.429 ' HA ' ' HG2' ' A' ' 109' ' ' MET . 80.1 t -45.95 -60.24 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.09 179.582 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -57.42 -33.85 68.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.994 0.426 . . . . 0.0 110.242 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.36 -22.88 62.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.124 179.748 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' A' ' 105' ' ' ASN . 2.3 mmt -66.87 -55.87 12.84 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.972 0.415 . . . . 0.0 110.534 179.881 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.11 -29.34 63.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.645 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -41.54 99.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.387 179.647 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.774 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -66.81 -48.04 70.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.81 179.655 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.26 -30.56 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.785 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 91.4 m -59.33 -38.07 79.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.36 179.606 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -87.48 -41.89 13.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.7 179.694 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -66.19 -50.58 63.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.68 179.748 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.0 t -57.84 -49.64 76.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.316 179.479 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -60.48 -31.77 70.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.292 179.257 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.2 ttt -74.93 -34.03 62.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.667 179.706 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -53.23 -43.27 67.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.736 179.814 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.46 -35.89 20.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.907 179.906 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.8 -58.54 4.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.724 HD21 ' HB ' ' A' ' 57' ' ' VAL . 2.6 tp -57.03 -42.5 80.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.967 179.911 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -59.56 -49.26 78.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.869 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -67.14 -44.67 79.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.44 -37.8 82.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 26.4 ttm -59.07 -47.81 83.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.819 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 149.54 41.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.462 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 130' ' ' HIS . 16.5 mt -128.62 157.17 41.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.815 0.341 . . . . 0.0 111.067 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.455 ' N ' HG22 ' A' ' 129' ' ' ILE . 4.9 t-160 -140.71 136.92 33.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -115.84 143.35 45.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.061 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -145.92 90.32 1.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.187 179.941 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 t0 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.869 0.366 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -81.02 -175.38 5.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.611 HG23 HD22 ' A' ' 36' ' ' LEU . 2.9 m -96.61 152.83 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.908 179.796 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.481 HG23 ' H ' ' A' ' 35' ' ' GLN . 12.5 t -57.44 157.22 6.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.181 -179.697 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -58.01 -30.93 66.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.801 179.844 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 m -67.37 -32.37 73.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.774 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.619 ' OE1' HG13 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -78.02 -34.96 50.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.91 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.611 HD22 HG23 ' A' ' 31' ' ' VAL . 3.8 mm? -52.79 -48.29 66.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.062 0.458 . . . . 0.0 109.896 179.508 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 pp -80.0 -22.35 42.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.224 178.9 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.5 t -59.28 -47.86 83.79 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.698 179.699 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.644 HG21 HG12 ' A' ' 106' ' ' VAL . 2.2 m -72.34 -36.86 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.023 179.822 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.724 ' HA ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -64.55 -22.69 67.04 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.144 179.454 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -83.6 -35.23 24.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.398 179.368 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 1.2 pp0? -81.85 -35.42 29.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.875 ' HB3' HD21 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -74.38 -66.63 0.71 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.448 179.806 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 1.025 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -46.35 -44.44 16.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.588 179.865 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -52.73 -50.38 63.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.848 0.356 . . . . 0.0 110.784 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.8 t -71.25 -26.9 63.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.682 179.642 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.543 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -72.57 65.63 0.68 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.449 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 175.64 130.67 1.35 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.525 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.686 HD12 ' HB3' ' A' ' 53' ' ' GLN . 2.7 mm? -83.18 136.31 43.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.52 0.2 . . . . 0.0 110.675 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 33.0 Cg_exo -58.25 -74.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.323 2.016 . . . . 0.0 112.441 -179.766 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.49 -74.81 0.18 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.857 0.36 . . . . 0.0 111.267 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.88 -38.92 62.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.353 -179.584 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.686 ' HB3' HD12 ' A' ' 49' ' ' LEU . 17.9 mt-30 -57.28 -33.36 67.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.628 ' HA ' HG12 ' A' ' 57' ' ' VAL . 22.8 t-80 -90.13 -39.88 12.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -56.3 -21.65 25.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.494 -179.725 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.54 -58.59 1.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.956 -179.747 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.861 HG23 HD12 ' A' ' 65' ' ' LEU . 10.9 p -56.19 -18.98 6.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.25 -179.32 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.7 p -112.77 -41.41 3.8 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.24 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.72 -9.83 39.28 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -178.886 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -124.58 -62.4 1.26 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.683 0.277 . . . . 0.0 111.611 -179.544 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.95 150.01 0.78 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.782 -179.54 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.66 160.17 48.94 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.762 2.308 . . . . 0.0 112.485 -179.829 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -49.54 -39.34 34.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.192 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 p -56.97 -47.05 81.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.92 0.391 . . . . 0.0 110.716 179.846 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.861 HD12 HG23 ' A' ' 57' ' ' VAL . 1.4 tm? -63.4 -34.98 78.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.407 179.625 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 69' ' ' TYR . 85.0 mtt180 -72.08 -32.77 67.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.78 179.662 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -56.21 -43.96 79.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -74.03 -26.2 60.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.225 -179.925 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.4 ' HB3' ' O ' ' A' ' 66' ' ' ARG . 8.0 t80 -55.41 -58.58 7.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.001 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -69.5 -27.94 65.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 -179.773 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -68.43 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 111.14 -179.857 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.721 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.4 pp -53.7 -39.18 64.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.06 -179.861 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.721 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.4 t80 -69.84 -29.55 66.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.749 179.877 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.73 -45.49 70.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.97 0.414 . . . . 0.0 110.336 179.599 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -75.19 -22.18 58.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.753 179.46 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.786 HG23 ' CD1' ' A' ' 43' ' ' LEU . 81.8 m -77.28 -35.97 54.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.057 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -75.04 -24.7 58.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.396 -179.713 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.12 -33.92 13.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.343 -179.715 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.527 HG22 ' HA ' ' A' ' 76' ' ' THR . 13.9 t -64.2 -47.13 80.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.089 -179.784 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 1.025 HD13 ' HB2' ' A' ' 44' ' ' ALA . 30.8 mt -62.12 -37.98 87.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.974 -179.8 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -55.24 -35.5 65.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.012 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 34.5 mtp -70.12 -31.36 68.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.462 ' HB2' ' HE1' ' A' ' 109' ' ' MET . . . -68.73 -50.47 50.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.82 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.473 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 4.1 t70 -86.07 51.29 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.569 ' CA ' HG21 ' A' ' 91' ' ' THR . 1.9 tpp -130.26 -46.3 1.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.217 -179.899 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -59.52 -19.29 47.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.956 -179.359 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.789 ' HB2' HG22 ' A' ' 91' ' ' THR . 37.5 m80 -66.62 71.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.987 0.422 . . . . 0.0 111.029 -179.838 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.45 ' HA ' ' HB3' ' A' ' 93' ' ' ALA . 1.5 mtm180 -51.24 -25.2 5.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.545 -179.839 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -90.16 -29.93 17.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.703 -179.383 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.4 ' HB2' ' HB3' ' A' ' 87' ' ' HIS . 2.3 mtm -97.76 -58.74 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.673 0.273 . . . . 0.0 111.535 -179.489 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.789 HG22 ' HB2' ' A' ' 87' ' ' HIS . 10.0 t -98.31 -168.43 1.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.078 -179.571 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.95 95.77 1.92 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.641 -179.826 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.45 ' HB3' ' HA ' ' A' ' 88' ' ' ARG . . . -96.48 34.4 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.328 . . . . 0.0 111.235 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 96' ' ' ILE . 58.2 m -99.6 -114.64 0.16 Allowed 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.787 -179.853 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.56 75.23 0.06 OUTLIER Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.567 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 94' ' ' SER . 13.1 pt -108.16 -174.64 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 111.152 -179.84 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -45.53 167.45 0.12 Allowed Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.246 179.856 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -72.4 55.7 2.58 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.859 2.373 . . . . 0.0 112.568 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.97 125.16 1.64 Allowed Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.545 -0.836 . . . . 0.0 113.037 179.601 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.521 ' HE3' ' O ' ' A' ' 101' ' ' LEU . 1.1 ttp -144.15 140.97 29.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 0.0 110.583 179.76 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.641 HD13 ' HE1' ' A' ' 103' ' ' HIS . 1.0 OUTLIER -85.66 134.12 40.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.588 179.74 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 101' ' ' LEU . 52.9 Cg_exo -55.37 -22.73 34.98 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.597 2.198 . . . . 0.0 112.906 -179.634 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.641 ' HE1' HD13 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -88.65 -8.87 53.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.574 -179.623 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -70.34 -33.79 71.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.839 0.352 . . . . 0.0 110.732 179.803 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.508 ' OD1' HG13 ' A' ' 106' ' ' VAL . 8.0 p30 -71.97 -49.21 39.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.938 179.883 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.644 HG12 HG21 ' A' ' 39' ' ' VAL . 31.7 m -57.16 -35.89 49.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.052 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -61.46 -54.72 39.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.48 179.72 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.07 -25.86 64.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.678 179.574 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.489 ' HE1' ' HA ' ' A' ' 80' ' ' LEU . 3.1 ttm -59.18 -66.05 0.57 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.787 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.511 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -52.44 -29.76 26.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.811 179.892 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.3 m -58.04 -38.09 75.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.437 179.472 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.625 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -62.34 -47.14 85.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.706 179.638 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.511 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.6 OUTLIER -59.3 -29.49 42.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.739 179.822 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.8 m -58.34 -48.61 79.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.233 179.58 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -80.65 -42.11 22.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.374 179.363 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.489 ' CE2' ' HA ' ' A' ' 47' ' ' ALA . 35.2 m95 -60.02 -51.09 71.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.733 179.773 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.5 t -53.42 -46.06 69.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.48 179.582 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -62.3 -32.02 72.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.5 179.501 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.8 ttt -73.02 -35.72 66.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.609 179.754 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -53.0 -45.18 67.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.768 179.815 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -82.5 -33.92 28.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.848 179.762 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.96 -59.85 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 tp -53.16 -44.51 67.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.502 ' HB3' HD12 ' A' ' 129' ' ' ILE . 17.8 mt-30 -60.91 -40.24 92.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.808 179.859 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.435 ' CD2' ' HB2' ' A' ' 131' ' ' ALA . 0.3 OUTLIER -76.01 -31.62 58.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.792 179.928 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.88 -33.76 59.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 15.6 ttm -61.99 -53.52 54.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 173.5 39.18 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.515 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.502 HD12 ' HB3' ' A' ' 124' ' ' GLN . 26.2 mt -128.99 155.74 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.817 0.341 . . . . 0.0 111.062 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.431 ' N ' HG22 ' A' ' 129' ' ' ILE . 2.7 t-160 -123.64 133.23 53.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.435 ' HB2' ' CD2' ' A' ' 125' ' ' HIS . . . -62.7 150.56 40.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.04 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -136.6 85.35 2.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.259 -0.876 . . . . 0.0 111.084 -179.989 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.788 0.328 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.27 139.98 38.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.731 HG23 ' CD2' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -54.36 160.92 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.925 179.783 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 p -56.1 145.02 27.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.094 -179.555 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.5 p -56.57 -33.93 66.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 179.812 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.11 -30.03 68.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.37 179.6 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.616 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -70.96 -40.86 71.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.618 179.654 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.731 ' CD2' HG23 ' A' ' 31' ' ' VAL . 4.3 mm? -52.91 -48.77 66.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.129 179.4 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 pp -81.27 -22.54 38.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.695 179.29 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.441 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 42.9 t -61.78 -32.75 73.04 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-O 120.886 0.374 . . . . 0.0 110.6 179.756 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.724 HG12 ' HG2' ' A' ' 109' ' ' MET . 2.8 t -86.63 -34.07 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.169 -179.884 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.687 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -68.75 -27.13 65.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 110.221 179.641 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -81.11 -35.17 31.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.718 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -36.78 29.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.358 -179.698 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.974 HD13 HG23 ' A' ' 76' ' ' THR . 0.1 OUTLIER -71.59 -62.13 1.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.048 -179.653 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.57 -44.03 56.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.51 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -53.47 -49.72 66.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.055 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.78 -26.56 59.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.587 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -69.59 67.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.196 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.413 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 162.94 130.22 1.1 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.577 179.927 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.671 HD13 ' HB3' ' A' ' 53' ' ' GLN . 14.5 mt -79.58 156.75 75.4 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.566 0.222 . . . . 0.0 110.727 179.852 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 53' ' ' GLN . 10.9 Cg_exo -69.55 -76.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.579 2.186 . . . . 0.0 112.465 -179.642 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.53 -68.77 0.22 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.877 0.37 . . . . 0.0 111.605 -179.814 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -56.07 -45.81 79.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.323 -179.418 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.671 ' HB3' HD13 ' A' ' 49' ' ' LEU . 2.0 mt-30 -55.33 -25.82 37.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.083 -179.887 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.627 ' HA ' HG12 ' A' ' 57' ' ' VAL . 26.7 t-80 -89.26 -33.81 16.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.03 -17.24 62.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.356 -179.761 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.422 ' CD2' ' HG3' ' A' ' 127' ' ' MET . 0.6 OUTLIER -99.32 -48.03 4.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.759 0.314 . . . . 0.0 111.044 -179.821 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.851 HG23 HD12 ' A' ' 65' ' ' LEU . 14.2 p -68.44 -9.9 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -179.144 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -124.36 -38.12 2.46 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.37 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.56 -9.77 43.05 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.016 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -130.1 -62.44 0.94 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.764 -179.463 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.26 149.81 0.43 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.915 -179.341 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.11 160.2 48.0 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.694 2.263 . . . . 0.0 112.244 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.434 ' HG2' ' N ' ' A' ' 64' ' ' SER . 2.6 pm0 -50.37 -30.49 12.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.117 -179.899 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.434 ' N ' ' HG2' ' A' ' 63' ' ' GLN . 30.7 t -60.75 -46.0 92.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.47 179.724 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.851 HD12 HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -68.99 -34.41 75.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.419 179.569 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -69.06 -37.28 78.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.561 179.652 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.458 ' O ' ' ND2' ' A' ' 71' ' ' ASN . 11.5 m120 -59.47 -36.21 75.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.617 179.741 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -68.22 -35.11 77.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.742 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -54.56 -67.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.314 -179.754 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.31 -30.76 70.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.104 -179.741 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 67' ' ' ASN . 1.7 m-80 -60.15 -65.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 -179.827 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.841 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.5 pp -56.38 -36.97 69.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.21 -179.759 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.841 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.7 t80 -72.18 -33.47 67.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.122 -179.867 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.2 m -53.39 -38.63 63.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.003 0.43 . . . . 0.0 110.378 179.655 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -78.58 -24.82 45.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.684 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.974 HG23 HD13 ' A' ' 43' ' ' LEU . 98.9 m -73.37 -46.52 48.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.096 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -62.46 -37.55 86.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.565 -179.336 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.1 -27.9 48.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.416 -179.487 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.421 HG22 ' HB2' ' A' ' 108' ' ' ASP . 1.0 OUTLIER -70.59 -48.33 55.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.121 -179.848 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.687 HD23 ' HA ' ' A' ' 40' ' ' ARG . 2.8 mt -56.21 -31.04 63.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.337 . . . . 0.0 110.925 -179.914 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.94 -53.73 54.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.73 179.883 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.416 ' CB ' ' HB3' ' A' ' 105' ' ' ASN . 52.3 mtm -60.35 -20.37 59.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 179.551 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.532 ' HB2' ' CE ' ' A' ' 109' ' ' MET . . . -71.79 -58.5 3.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.092 179.889 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.648 ' O ' HG21 ' A' ' 91' ' ' THR . 1.8 p30 -84.21 54.52 2.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.202 -179.736 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.542 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 2.1 tpp -130.29 -46.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.96 179.894 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -57.16 -22.65 41.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.647 -179.702 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.781 ' HB2' HG22 ' A' ' 91' ' ' THR . 22.1 m80 -67.96 71.24 0.15 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.974 0.416 . . . . 0.0 111.117 -179.767 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.543 ' HA ' ' HB3' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -53.99 -23.77 14.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.404 -179.946 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -89.38 -40.82 12.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.526 -179.466 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.7 mtm -83.97 -65.21 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.575 -179.431 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.781 HG22 ' HB2' ' A' ' 87' ' ' HIS . 11.5 t -93.44 -170.16 2.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 111.152 -179.499 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.95 93.63 1.65 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.618 -179.767 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.543 ' HB3' ' HA ' ' A' ' 88' ' ' ARG . . . -94.03 34.4 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 111.259 179.881 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 96' ' ' ILE . 19.2 p -99.63 -114.28 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.663 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.76 77.68 0.01 OUTLIER Glycine 0 C--N 1.336 0.57 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.542 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 94' ' ' SER . 43.2 pt -112.29 -174.5 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.778 0.323 . . . . 0.0 111.168 -179.86 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.411 ' HB2' ' CD ' ' A' ' 98' ' ' PRO . 11.5 p30 -46.7 168.01 0.14 Allowed Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.975 179.775 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.411 ' CD ' ' HB2' ' A' ' 97' ' ' ASN . 16.1 Cg_exo -68.29 56.07 0.83 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.782 2.321 . . . . 0.0 112.528 -179.812 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 70.42 125.13 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.694 179.689 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.549 ' HE3' ' O ' ' A' ' 101' ' ' LEU . 1.1 ptm -134.31 165.53 24.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.798 179.864 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.554 HD12 ' CG ' ' A' ' 104' ' ' GLU . 6.0 mt -89.08 147.55 38.87 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.544 179.721 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.68 -40.29 5.63 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.604 2.203 . . . . 0.0 112.775 -179.497 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.63 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.3 OUTLIER -78.93 -8.77 59.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.763 -179.446 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.554 ' CG ' HD12 ' A' ' 101' ' ' LEU . 1.1 mm-40 -62.63 -36.29 82.34 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.985 0.421 . . . . 0.0 110.61 179.665 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.551 ' OD1' HG13 ' A' ' 106' ' ' VAL . 7.9 p30 -79.01 -49.43 12.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.275 -179.78 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.63 HG22 ' HA ' ' A' ' 103' ' ' HIS . 6.5 m -59.23 -46.15 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.477 -179.607 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.458 ' N ' HG23 ' A' ' 106' ' ' VAL . 83.3 m-20 -61.56 -56.98 14.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.98 0.419 . . . . 0.0 110.537 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.421 ' HB2' HG22 ' A' ' 79' ' ' THR . 79.8 m-20 -59.7 -20.41 56.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.833 179.644 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.724 ' HG2' HG12 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -66.7 -54.56 21.76 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.875 0.369 . . . . 0.0 110.625 179.846 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.518 ' O ' HG22 ' A' ' 113' ' ' ILE . 1.8 mtt85 -55.63 -26.7 45.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.507 179.63 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 t -65.41 -38.42 89.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.513 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.7 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -61.97 -45.62 92.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.707 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.5 OUTLIER -62.01 -27.72 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.792 179.852 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 90.0 m -61.73 -36.91 82.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.988 0.423 . . . . 0.0 110.221 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -84.44 -42.47 15.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.417 179.501 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.497 ' CD1' HD13 ' A' ' 72' ' ' LEU . 64.5 m95 -66.19 -50.44 63.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.614 179.607 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.3 m -57.74 -51.07 71.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.477 179.617 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -56.82 -30.9 64.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.42 179.55 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.2 ttt -71.65 -34.38 69.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.417 179.595 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -42.07 70.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.591 179.689 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -82.1 -38.17 25.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.922 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.97 -59.65 2.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.799 HD21 ' HB ' ' A' ' 57' ' ' VAL . 5.1 tp -52.86 -39.61 62.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -63.03 -54.29 40.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.796 179.861 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -61.58 -38.29 87.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.92 -31.66 69.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.422 ' HG3' ' CD2' ' A' ' 56' ' ' PHE . 10.0 ttm -58.98 -38.21 78.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 144.94 44.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.454 HG22 ' N ' ' A' ' 130' ' ' HIS . 20.9 mt -133.27 156.75 42.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.812 0.339 . . . . 0.0 111.085 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.454 ' N ' HG22 ' A' ' 129' ' ' ILE . 44.2 m80 -134.14 124.62 26.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -133.17 153.2 51.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.093 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -140.83 81.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.123 -179.948 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.6 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.801 0.334 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 m -60.58 -39.62 88.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.397 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.02 -28.08 69.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.43 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -77.54 -34.92 53.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.561 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.537 ' O ' HG12 ' A' ' 39' ' ' VAL . 2.8 mm? -52.99 -48.96 67.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.106 0.479 . . . . 0.0 109.996 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.51 HD12 ' HD2' ' A' ' 41' ' ' HIS . 3.0 pp -78.67 -24.25 45.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.357 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 t -64.61 -35.93 82.58 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.665 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.831 HG22 ' HG2' ' A' ' 109' ' ' MET . 6.1 p -78.57 -31.17 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.649 ' HA ' ' HE3' ' A' ' 109' ' ' MET . 0.0 OUTLIER -75.34 -22.92 57.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.17 179.249 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.51 ' HD2' HD12 ' A' ' 37' ' ' LEU . 34.6 m-70 -79.91 -33.74 39.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.795 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -76.67 -33.56 58.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.818 ' HB3' HD21 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -72.38 -64.43 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.769 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.411 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . . . -52.11 -36.56 51.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.468 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -56.04 -48.72 75.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.799 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.412 ' CB ' HD11 ' A' ' 113' ' ' ILE . 61.5 m -80.66 -27.27 37.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.811 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.652 ' HB1' ' CE1' ' A' ' 73' ' ' TYR . . . -72.04 64.59 0.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.488 ' N ' ' CZ3' ' A' ' 116' ' ' TRP . . . 173.56 103.21 0.16 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.532 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.803 HD12 ' CB ' ' A' ' 53' ' ' GLN . 3.8 mm? -57.32 141.57 77.44 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 120.535 0.207 . . . . 0.0 110.61 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.406 ' HB2' ' H ' ' A' ' 51' ' ' ARG . 32.5 Cg_exo -56.42 -82.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.377 2.051 . . . . 0.0 112.717 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.406 ' H ' ' HB2' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -148.63 -68.57 0.22 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.884 0.373 . . . . 0.0 111.398 -179.817 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.13 -37.0 52.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.376 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.803 ' CB ' HD12 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -59.22 -39.9 84.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.991 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.47 ' HA ' HG12 ' A' ' 57' ' ' VAL . 27.2 t-80 -70.12 -45.3 67.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -53.9 -24.06 14.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.254 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -95.07 -58.9 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.024 HG23 HD12 ' A' ' 65' ' ' LEU . 10.8 p -61.26 -12.97 6.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.7 t -117.45 -34.32 4.33 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.92 -9.77 18.66 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -123.95 -67.24 0.94 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.456 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -39.97 151.24 0.24 Allowed Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.155 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.4 160.29 50.01 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.896 2.398 . . . . 0.0 112.547 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -46.98 -40.72 14.97 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.292 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -56.11 -33.16 64.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.002 0.429 . . . . 0.0 110.754 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 1.024 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -82.87 -29.1 29.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.889 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -77.08 -53.03 8.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.455 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -59.77 -36.21 76.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.088 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -73.22 -25.41 60.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.771 0.32 . . . . 0.0 110.918 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.67 ' CE2' HD23 ' A' ' 49' ' ' LEU . 7.2 t80 -59.45 -60.01 4.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.761 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.74 -27.91 67.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.172 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -55.92 -66.06 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.118 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.874 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.0 pp -52.87 -34.61 55.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.977 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.874 ' N ' HD12 ' A' ' 72' ' ' LEU . 8.0 t80 -74.51 -32.12 62.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.807 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.5 t -53.22 -37.47 62.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.032 0.444 . . . . 0.0 110.547 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.63 ' O ' HG23 ' A' ' 79' ' ' THR . 0.3 OUTLIER -79.89 -28.94 39.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.749 179.625 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.816 HG23 HD13 ' A' ' 43' ' ' LEU . 41.1 m -71.43 -38.37 71.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.172 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -67.09 -45.83 76.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.2 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.8 -21.13 62.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.549 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 75' ' ' HIS . 8.5 p -79.02 -48.14 14.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.605 0.24 . . . . 0.0 111.299 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.818 HD21 ' HB3' ' A' ' 43' ' ' LEU . 6.0 mt -55.5 -34.75 64.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.789 0.328 . . . . 0.0 110.994 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -57.58 -34.01 68.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 17.9 mtm -72.59 -31.46 65.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.783 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.478 ' HB2' ' HE2' ' A' ' 109' ' ' MET . . . -67.13 -61.76 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.0 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.44 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 7.2 t0 -82.22 57.1 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.977 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.18 -49.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -56.33 -22.34 30.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.788 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 21.4 m80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 0.0 111.243 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.581 HD13 ' CE1' ' A' ' 103' ' ' HIS . 1.5 mt . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.614 0.245 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.408 ' HB3' HD21 ' A' ' 36' ' ' LEU . 44.9 Cg_exo -56.51 -17.43 21.89 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.621 2.214 . . . . 0.0 112.796 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.581 ' CE1' HD13 ' A' ' 101' ' ' LEU . 5.2 p-80 -89.63 -8.85 51.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.459 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -71.35 -33.79 69.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.875 0.369 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -76.61 -46.31 26.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.161 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.675 HG12 HG11 ' A' ' 39' ' ' VAL . 29.4 m -56.9 -39.61 66.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.264 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -61.45 -57.18 13.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.731 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.492 ' CG ' HG21 ' A' ' 79' ' ' THR . 2.8 t0 -62.36 -23.29 66.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.831 ' HG2' HG22 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -58.1 -66.2 0.52 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.168 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.505 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -56.61 -22.97 37.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.903 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.5 m -68.82 -41.08 79.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.117 0.484 . . . . 0.0 110.351 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.765 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -65.05 -45.86 83.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.624 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.505 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -61.2 -25.97 37.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.623 179.537 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 88.4 m -63.13 -37.08 85.78 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -82.86 -41.06 19.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.278 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.637 ' HZ3' HD22 ' A' ' 49' ' ' LEU . 35.9 m95 -67.19 -48.73 67.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.682 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 98.5 p -54.02 -46.97 71.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.569 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -59.86 -31.86 70.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.56 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.7 ttt -73.77 -36.16 65.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.679 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -51.29 -47.56 62.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -80.8 -33.86 34.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.061 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.99 -59.88 2.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.322 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.621 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.6 tp -51.22 -46.39 62.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.221 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.525 ' O ' HD12 ' A' ' 129' ' ' ILE . 0.1 OUTLIER -57.97 -42.65 85.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -70.19 -52.07 26.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.41 -35.91 72.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 34.1 ttm -57.54 -43.81 84.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 141.34 38.52 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.849 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.525 HD12 ' O ' ' A' ' 124' ' ' GLN . 2.8 mp . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 111.181 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.9 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.786 0.327 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.58 -32.61 63.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.791 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 m -70.78 -30.96 67.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.763 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.438 ' HA ' ' HB3' ' A' ' 38' ' ' SER . 64.5 tp60 -72.83 -44.83 60.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 36' ' ' LEU . 22.8 mt -52.78 -46.71 67.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.068 0.461 . . . . 0.0 110.139 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.422 ' C ' HD12 ' A' ' 37' ' ' LEU . 3.2 pp -81.18 -24.5 37.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.728 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.438 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 22.3 t -57.8 -48.76 78.79 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.898 0.38 . . . . 0.0 110.746 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.725 HG13 ' HE2' ' A' ' 109' ' ' MET . 14.9 p -75.87 -29.21 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.302 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.646 ' HA ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -69.88 -28.1 65.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.868 0.366 . . . . 0.0 110.393 179.672 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -72.85 -39.23 66.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -79.02 -33.47 44.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.252 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.857 ' CD1' HG23 ' A' ' 76' ' ' THR . 0.2 OUTLIER -75.97 -67.13 0.71 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.739 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 1.097 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -44.27 -44.63 8.15 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.782 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -55.94 -51.02 69.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.187 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 t -70.61 -29.04 65.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.05 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.744 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -70.98 72.85 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.186 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.455 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . -169.53 140.12 5.94 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.563 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.663 HD13 ' HD2' ' A' ' 50' ' ' PRO . 3.0 mm? -87.32 136.16 33.78 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 120.553 0.216 . . . . 0.0 110.761 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.663 ' HD2' HD13 ' A' ' 49' ' ' LEU . 33.6 Cg_endo -65.47 -85.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.26 1.973 . . . . 0.0 112.316 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -148.34 -78.36 0.15 Allowed 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 120.833 0.349 . . . . 0.0 111.354 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.02 -40.4 89.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.641 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.61 ' O ' HG12 ' A' ' 57' ' ' VAL . 26.2 mt-30 -50.57 -27.09 6.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.38 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.571 ' HA ' HG12 ' A' ' 57' ' ' VAL . 23.4 t-80 -84.49 -50.87 7.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 111.065 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -51.19 -24.89 4.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.505 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.83 -53.75 4.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.033 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.812 HG23 HD12 ' A' ' 65' ' ' LEU . 12.7 p -66.03 -9.96 9.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.41 -38.75 2.97 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.38 -9.83 29.06 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -126.36 -63.68 1.08 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.33 149.94 0.29 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.143 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.28 160.28 45.34 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.847 2.365 . . . . 0.0 112.53 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -47.79 -38.78 16.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.212 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.5 m -56.99 -46.24 82.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.764 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.812 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -66.43 -37.63 85.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.622 179.729 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -69.72 -32.91 71.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.812 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -57.0 -47.74 80.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -72.16 -27.54 62.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.517 ' HD2' HG21 ' A' ' 57' ' ' VAL . 14.6 t80 -58.91 -54.22 49.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -78.23 -30.93 49.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.077 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -64.2 -53.73 44.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.038 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.747 HD12 ' N ' ' A' ' 73' ' ' TYR . 3.9 pp -58.8 -40.94 85.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.045 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.747 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.5 t80 -75.93 -30.79 58.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.006 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 26.2 t -52.51 -37.29 57.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.597 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.63 ' O ' HG23 ' A' ' 79' ' ' THR . 55.6 m80 -79.6 -35.64 39.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.601 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.857 HG23 ' CD1' ' A' ' 43' ' ' LEU . 87.7 m -60.92 -33.82 73.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -73.2 -47.11 46.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.472 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.88 -33.96 64.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.524 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 75' ' ' HIS . 20.4 p -60.91 -61.24 2.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.334 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 1.097 HD13 ' HB2' ' A' ' 44' ' ' ALA . 18.4 mt -53.89 -30.29 45.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.8 0.333 . . . . 0.0 110.951 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -47.97 83.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.787 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.401 ' HB2' ' HB3' ' A' ' 105' ' ' ASN . 27.7 mtm -64.99 -30.42 71.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.643 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . . . -69.26 -52.98 22.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.455 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 7.8 t70 -85.96 52.88 2.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.5 tpt -130.22 -45.76 1.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -25.62 6.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.686 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.455 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 7.3 m80 . . . . . 0 C--N 1.33 -0.258 0 CA-C-O 120.951 0.405 . . . . 0.0 110.837 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.621 HD12 ' HG3' ' A' ' 104' ' ' GLU . 0.9 OUTLIER . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 120.57 0.224 . . . . 0.0 110.693 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 101' ' ' LEU . 19.0 Cg_exo -65.95 -28.99 49.73 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.554 2.169 . . . . 0.0 112.691 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.75 -12.59 47.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.748 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.621 ' HG3' HD12 ' A' ' 101' ' ' LEU . 7.7 mm-40 -59.07 -36.27 74.77 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.971 0.415 . . . . 0.0 110.495 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.453 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 8.8 p30 -79.16 -48.94 13.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.896 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.417 ' HA ' HG11 ' A' ' 39' ' ' VAL . 28.5 t -47.86 -68.71 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.958 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -55.75 -53.44 56.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.406 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -57.34 -26.06 60.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.429 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.725 ' HE2' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -61.75 -55.66 27.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.961 0.41 . . . . 0.0 110.551 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.469 ' O ' HG22 ' A' ' 113' ' ' ILE . 4.3 mtt180 -54.01 -27.42 31.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.554 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -63.94 -37.14 86.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.528 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.678 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -60.73 -47.05 88.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -61.62 -28.64 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 80.7 m -59.96 -37.4 79.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.956 0.408 . . . . 0.0 110.285 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -87.09 -40.12 14.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.437 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.541 ' CZ3' HD22 ' A' ' 49' ' ' LEU . 37.2 m95 -65.25 -50.08 67.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.529 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.6 t -58.23 -47.21 84.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.439 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.25 -35.01 76.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.513 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.9 ttt -68.91 -37.73 79.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.726 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.92 -43.72 66.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -83.24 -33.95 25.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.46 -59.33 2.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.359 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.674 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.6 tp -54.36 -45.48 72.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.162 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.8 ' O ' HD12 ' A' ' 129' ' ' ILE . 2.0 mt-30 -57.39 -47.97 80.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -65.38 -42.24 92.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.22 -35.88 76.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.231 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 21.5 ttm -56.94 -48.97 77.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 156.86 39.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.607 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.8 HD12 ' O ' ' A' ' 124' ' ' GLN . 2.4 mt . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 120.789 0.328 . . . . 0.0 111.013 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.84 0.352 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.39 -40.19 24.9 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.797 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.3 p -63.12 -31.37 72.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.412 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -35.36 63.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.449 HD11 ' O ' ' A' ' 102' ' ' PRO . 4.5 mm? -52.88 -49.3 66.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.123 0.487 . . . . 0.0 110.103 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 pp -81.08 -25.04 37.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.595 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.9 t -58.75 -37.65 76.69 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.859 0.361 . . . . 0.0 110.683 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.4 ' HB ' ' CE ' ' A' ' 109' ' ' MET . 39.4 t -81.65 -35.39 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.167 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.708 ' HA ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -67.54 -25.25 65.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.754 0.311 . . . . 0.0 110.556 179.751 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -78.36 -38.17 42.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.703 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -79.28 -30.28 42.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.251 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.845 ' HB3' HD21 ' A' ' 80' ' ' LEU . 0.6 OUTLIER -76.36 -67.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.783 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 1.068 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -45.16 -43.78 10.25 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.574 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -56.52 -45.04 81.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 m -74.45 -23.38 58.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 48' ' ' GLY . . . -77.75 -167.7 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.076 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 47' ' ' ALA . . . 33.82 99.98 0.01 OUTLIER Glycine 0 CA--C 1.52 0.386 0 CA-C-N 115.725 -0.67 . . . . 0.0 113.963 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.656 HD13 ' HB3' ' A' ' 53' ' ' GLN . 59.0 mt -50.21 149.81 4.9 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.687 0.279 . . . . 0.0 111.069 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.69 -79.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.583 2.189 . . . . 0.0 112.44 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.18 -69.32 0.23 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.847 0.356 . . . . 0.0 110.97 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -54.07 -39.84 66.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.037 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.656 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -62.06 -28.12 69.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.518 ' HA ' HG12 ' A' ' 57' ' ' VAL . 19.0 t-80 -82.66 -45.04 15.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.48 -25.9 7.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.383 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.401 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 4.6 t80 -85.08 -58.59 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.953 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.731 HG23 HD12 ' A' ' 65' ' ' LEU . 14.7 p -61.38 -12.45 6.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -179.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -117.39 -37.76 3.45 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.64 -9.76 21.58 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -123.89 -67.61 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.404 ' CB ' ' HA ' ' A' ' 57' ' ' VAL . . . -39.26 150.82 0.22 Allowed Pre-proline 0 N--CA 1.463 0.207 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.154 -179.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.22 160.25 50.58 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.833 2.355 . . . . 0.0 112.5 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.03 -38.98 40.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.143 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.5 m -57.84 -39.35 77.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.731 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -73.83 -35.58 64.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.834 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.05 -33.71 72.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -62.27 -47.18 85.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.98 -27.07 63.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -54.47 -71.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -59.07 -24.18 62.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -63.81 -64.24 0.95 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.154 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.888 HD12 ' N ' ' A' ' 73' ' ' TYR . 3.5 pp -55.34 -30.38 60.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.106 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.888 ' N ' HD12 ' A' ' 72' ' ' LEU . 7.0 t80 -78.6 -33.6 47.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.766 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.96 -44.72 50.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.021 0.439 . . . . 0.0 110.41 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.422 ' O ' ' HB ' ' A' ' 79' ' ' THR . 4.1 m-70 -78.22 -25.71 47.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.53 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.743 HG23 HD11 ' A' ' 43' ' ' LEU . 44.5 m -73.98 -46.69 42.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -67.52 -25.24 65.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.34 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.28 -33.14 13.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.744 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.538 HG22 ' HA ' ' A' ' 76' ' ' THR . 13.0 t -65.19 -47.05 78.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.752 0.31 . . . . 0.0 110.928 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 1.068 HD13 ' HB2' ' A' ' 44' ' ' ALA . 55.5 mt -58.54 -40.03 81.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.67 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.33 -44.28 84.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.474 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.433 ' CB ' ' HB3' ' A' ' 105' ' ' ASN . 0.0 OUTLIER -58.63 -26.68 63.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.697 179.488 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.477 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . . . -82.74 -28.71 30.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -90.9 38.66 0.96 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.262 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.3 mtp -130.44 -46.59 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.003 0.43 . . . . 0.0 110.81 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -42.16 -31.21 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.864 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.407 ' CE1' ' O ' ' A' ' 83' ' ' ALA . 2.6 m80 . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.866 0.365 . . . . 0.0 110.682 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.539 HD13 ' NE2' ' A' ' 103' ' ' HIS . 28.9 mt . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 120.75 0.309 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.449 ' O ' HD11 ' A' ' 36' ' ' LEU . 78.2 Cg_exo -50.05 -24.68 11.32 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.754 2.303 . . . . 0.0 112.869 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.539 ' NE2' HD13 ' A' ' 101' ' ' LEU . 4.8 p80 -89.18 -8.83 52.85 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -70.78 -33.75 71.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.023 0.439 . . . . 0.0 110.522 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.477 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 9.2 p30 -74.02 -42.14 60.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.183 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 103' ' ' HIS . 11.2 m -65.4 -37.26 79.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.802 0.334 . . . . 0.0 111.207 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.15 -52.58 63.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.807 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.35 -25.27 65.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.697 ' CG ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -63.9 -63.65 1.1 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.955 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.468 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -50.17 -30.16 10.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.795 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -61.93 -36.44 81.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.479 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.612 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -61.45 -50.72 71.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.804 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.468 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -57.06 -29.58 31.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 48.8 m -59.95 -39.66 86.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.947 0.404 . . . . 0.0 110.354 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.86 -40.37 14.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.617 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.448 ' NE1' HD13 ' A' ' 72' ' ' LEU . 74.1 m95 -66.93 -43.59 82.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.758 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 113' ' ' ILE . 68.4 m -61.8 -50.39 72.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.048 0.451 . . . . 0.0 110.042 179.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.89 -33.84 72.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.283 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 4.1 ttt -72.54 -36.06 68.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.608 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -50.86 -43.82 59.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.808 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.06 -41.59 20.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.964 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.54 -58.54 6.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.259 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.491 HD21 ' HB ' ' A' ' 57' ' ' VAL . 4.2 tp -52.66 -44.53 66.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -57.16 -47.98 79.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -61.62 -51.69 67.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.038 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.32 88.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.213 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.401 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 7.8 ttm -55.39 -46.52 76.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 152.9 43.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.531 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 22.4 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 111.052 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.653 HG23 ' H ' ' A' ' 35' ' ' GLN . 5.0 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.857 0.36 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -37.83 88.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.612 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.94 -31.43 72.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.743 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.653 ' H ' HG23 ' A' ' 32' ' ' THR . 56.3 tp60 -72.95 -37.37 67.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.84 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 83' ' ' ALA . 3.0 mm? -52.86 -49.22 66.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.117 0.484 . . . . 0.0 110.151 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 pp -81.13 -23.19 38.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.587 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.5 t -55.58 -46.98 77.18 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.746 HG23 ' CE ' ' A' ' 109' ' ' MET . 0.2 OUTLIER -77.47 -40.49 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.228 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.594 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -60.57 -20.82 61.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.77 0.319 . . . . 0.0 110.25 179.492 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -81.91 -36.59 27.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.273 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.515 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 8.1 pt20 -81.58 -37.39 27.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.741 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.902 ' CD1' HG23 ' A' ' 76' ' ' THR . 0.8 OUTLIER -71.06 -58.0 3.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.824 -179.839 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.533 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -50.34 -56.01 13.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.552 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -53.17 -50.28 64.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.236 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.4 m -63.21 -27.74 69.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.664 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -76.96 78.72 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.233 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.445 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 171.84 136.18 2.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.595 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.677 HD12 ' HB3' ' A' ' 53' ' ' GLN . 3.1 mm? -88.28 135.28 33.15 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 120.503 0.192 . . . . 0.0 110.683 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -55.93 -77.45 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.251 1.967 . . . . 0.0 112.459 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -148.7 -70.43 0.21 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.836 0.351 . . . . 0.0 111.491 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -36.11 75.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.409 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.677 ' HB3' HD12 ' A' ' 49' ' ' LEU . 1.7 mp0 -52.16 -25.9 10.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.297 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.615 ' HA ' HG12 ' A' ' 57' ' ' VAL . 31.7 t-80 -90.08 -37.38 14.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.177 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -56.05 -23.35 32.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.527 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 61' ' ' ALA . 3.6 t80 -98.78 -57.96 2.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.755 0.312 . . . . 0.0 111.264 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.992 HG23 HD12 ' A' ' 65' ' ' LEU . 13.3 p -56.3 -16.63 3.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.416 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 51.7 p -117.04 -35.34 4.11 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -179.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.84 -9.83 22.46 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -178.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -127.27 -63.68 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.423 ' CB ' ' HA ' ' A' ' 57' ' ' VAL . . . -40.47 150.74 0.27 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.083 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.32 160.27 45.24 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.789 2.326 . . . . 0.0 112.382 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.401 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -47.17 -39.06 12.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.27 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.4 p -56.01 -37.41 69.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.994 0.426 . . . . 0.0 110.619 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.992 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -75.69 -39.22 57.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.532 179.673 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.401 ' HD2' ' HA ' ' A' ' 63' ' ' GLN . 70.4 mtt180 -70.35 -32.87 70.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.904 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -61.53 -49.87 74.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -70.18 -26.34 63.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.4 ' HD2' HG21 ' A' ' 57' ' ' VAL . 15.3 t80 -53.41 -53.97 43.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.049 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -79.49 -28.18 41.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.073 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.2 -61.84 2.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.071 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.764 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -56.32 -42.16 77.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.078 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.764 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.9 t80 -69.12 -29.06 67.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.6 t -54.95 -43.88 73.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.927 0.394 . . . . 0.0 110.548 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.94 -27.37 61.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.604 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.902 HG23 ' CD1' ' A' ' 43' ' ' LEU . 65.5 m -71.53 -36.73 71.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -74.27 -24.48 59.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.548 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.85 -26.31 14.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.558 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.563 HG22 ' HA ' ' A' ' 76' ' ' THR . 14.7 t -71.95 -48.43 45.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.313 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.66 HD21 ' HB3' ' A' ' 43' ' ' LEU . 4.6 mt -56.74 -37.09 70.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.843 0.354 . . . . 0.0 110.748 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -55.85 -47.58 77.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.773 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 77.7 mtm -65.04 -24.05 67.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.838 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.488 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -75.68 -40.49 55.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.289 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.408 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 34.8 t70 -91.43 40.94 1.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.209 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpp -130.5 -40.47 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.402 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.78 -24.24 5.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.935 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.408 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 21.4 m80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.667 0.27 . . . . 0.0 110.361 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.678 HD13 ' CE1' ' A' ' 103' ' ' HIS . 1.1 mt . . . . . 0 CA--C 1.529 0.149 0 CA-C-O 120.608 0.242 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 101' ' ' LEU . 41.0 Cg_exo -56.89 -19.17 30.65 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.64 2.227 . . . . 0.0 112.676 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.678 ' CE1' HD13 ' A' ' 101' ' ' LEU . 4.4 p-80 -86.03 -22.7 27.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.179 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -53.27 -53.62 48.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.82 0.343 . . . . 0.0 110.965 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.405 HD21 HD11 ' A' ' 36' ' ' LEU . 8.6 p30 -60.67 -32.19 71.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.713 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.8 t -65.98 -62.02 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -54.71 -35.23 63.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.16 -35.57 64.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.685 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.746 ' CE ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -60.03 -50.14 74.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.512 179.781 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.412 ' O ' HG22 ' A' ' 113' ' ' ILE . 2.1 mtm105 -59.43 -30.84 68.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.482 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -34.77 74.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.639 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.681 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -64.11 -48.35 76.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.81 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.4 OUTLIER -60.6 -28.71 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.706 179.783 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 54.5 m -59.97 -41.46 92.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.358 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -85.68 -41.28 15.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.29 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.487 ' CD1' HD13 ' A' ' 72' ' ' LEU . 40.8 m95 -62.34 -50.09 73.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.408 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.2 t -57.99 -47.18 83.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.393 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.8 -32.96 71.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.528 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.0 ttt -69.17 -40.26 78.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.665 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -51.59 -41.19 61.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.868 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -82.66 -44.26 15.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.0 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.23 -59.09 4.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.281 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.741 HD21 ' HB ' ' A' ' 57' ' ' VAL . 3.8 tp -52.78 -45.16 67.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -57.88 -47.6 82.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.997 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -68.49 -40.53 80.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.28 -37.73 80.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 25.3 ttm -54.95 -49.1 72.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 155.25 41.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 21.6 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.343 . . . . 0.0 111.133 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.8 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.816 0.341 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.449 ' HA ' HD12 ' A' ' 36' ' ' LEU . 1.3 p -60.01 -38.9 84.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.621 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.34 -26.24 65.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.781 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -78.66 -40.23 34.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 33' ' ' SER . 50.1 mt -52.86 -44.64 66.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.02 0.438 . . . . 0.0 110.158 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 pp -81.31 -29.02 34.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.313 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.9 t -54.76 -48.13 73.0 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.839 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.463 HG13 ' HE3' ' A' ' 109' ' ' MET . 12.1 p -71.42 -38.34 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.557 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -61.73 -25.04 67.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.813 0.339 . . . . 0.0 110.369 179.661 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -74.85 -36.91 62.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.212 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.459 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 4.7 pt20 -81.69 -32.26 31.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.915 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.85 ' HB3' HD21 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -75.43 -67.2 0.68 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.591 -179.859 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 1.083 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -47.0 -46.48 21.8 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.513 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -56.43 -61.34 2.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.833 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 m -59.79 -26.49 65.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' A' ' 116' ' ' TRP . . . -73.28 63.63 0.75 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.227 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.487 ' N ' ' CZ3' ' A' ' 116' ' ' TRP . . . 174.42 112.73 0.3 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.565 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.764 HD23 ' CE2' ' A' ' 69' ' ' TYR . 3.5 mm? -59.91 147.44 79.44 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.56 0.219 . . . . 0.0 110.466 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.57 -83.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.482 2.121 . . . . 0.0 112.557 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.17 -71.14 0.21 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.798 0.332 . . . . 0.0 111.144 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.82 -35.75 45.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.495 ' CB ' HD12 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -61.31 -34.14 74.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.711 ' HA ' HG12 ' A' ' 57' ' ' VAL . 25.5 t-80 -75.65 -41.33 54.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.48 -19.45 47.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.417 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -97.56 -38.31 9.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.396 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.995 HG23 HD12 ' A' ' 65' ' ' LEU . 14.1 p -77.85 -9.6 12.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.2 m -121.68 -40.8 2.52 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -90.77 -9.8 45.22 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -129.43 -62.62 0.97 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.808 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -42.62 150.48 0.42 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.972 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.74 160.31 48.39 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.796 2.331 . . . . 0.0 112.495 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -46.45 -42.59 15.59 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.265 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.08 -31.6 61.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.796 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.995 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -84.71 -29.59 25.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.862 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -77.1 -50.43 13.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.39 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -61.62 -38.98 89.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.006 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.658 ' HD3' HD22 ' A' ' 65' ' ' LEU . 7.8 ptm180 -69.14 -26.88 65.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.81 0.338 . . . . 0.0 110.826 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.764 ' CE2' HD23 ' A' ' 49' ' ' LEU . 7.5 t80 -58.82 -59.28 5.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.761 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -71.26 -27.62 63.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.2 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.6 -60.99 2.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.09 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.737 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.5 pp -57.19 -34.27 68.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.98 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.737 ' N ' HD12 ' A' ' 72' ' ' LEU . 7.1 t80 -75.29 -32.6 61.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.877 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.36 -37.95 62.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.52 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.568 ' O ' HG23 ' A' ' 79' ' ' THR . 5.0 m80 -82.16 -24.63 34.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.62 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.765 HG23 ' CD1' ' A' ' 43' ' ' LEU . 52.8 m -72.62 -42.91 63.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -67.64 -41.3 84.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.299 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -20.5 60.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.382 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 75' ' ' HIS . 2.5 p -80.33 -52.36 7.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.663 0.268 . . . . 0.0 111.106 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 1.083 HD13 ' HB2' ' A' ' 44' ' ' ALA . 13.4 mt -55.04 -35.54 64.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.87 -24.21 35.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.104 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 68.7 mtm -81.15 -0.76 41.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.422 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.427 ' O ' ' CE1' ' A' ' 87' ' ' HIS . . . -112.96 -25.27 9.07 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.572 0.225 . . . . 0.0 111.558 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -96.22 35.48 1.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.319 . . . . 0.0 111.205 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.5 mtt -130.87 -51.7 1.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.741 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -37.45 -69.76 0.11 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.086 -0.507 . . . . 0.0 112.079 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.427 ' CE1' ' O ' ' A' ' 83' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.098 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.713 HD12 ' CG ' ' A' ' 104' ' ' GLU . 1.1 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.52 0.2 . . . . 0.0 110.749 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -60.2 -17.81 48.23 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.418 2.079 . . . . 0.0 112.575 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.415 ' HA ' HG22 ' A' ' 106' ' ' VAL . 28.8 p-80 -94.87 -12.94 26.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.542 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.713 ' CG ' HD12 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -60.45 -28.18 68.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.904 0.383 . . . . 0.0 110.76 179.818 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.551 ' OD1' HG13 ' A' ' 106' ' ' VAL . 6.6 p30 -79.12 -54.16 6.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.335 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.551 HG13 ' OD1' ' A' ' 105' ' ' ASN . 32.8 m -55.21 -45.94 77.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.765 0.316 . . . . 0.0 111.573 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.476 ' N ' HG23 ' A' ' 106' ' ' VAL . 21.5 t0 -61.42 -54.26 45.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.871 0.367 . . . . 0.0 110.716 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -64.75 -22.83 67.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.482 ' SD ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -66.47 -62.17 1.61 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.791 0.329 . . . . 0.0 110.859 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.466 ' O ' HG22 ' A' ' 113' ' ' ILE . 2.9 ptp85 -51.8 -26.35 9.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.765 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -66.58 -37.16 84.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.547 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.646 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -61.1 -46.29 91.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.812 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.4 OUTLIER -60.02 -29.15 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 60.1 m -60.67 -39.2 87.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.212 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.88 -42.2 15.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.481 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.692 ' HZ3' HD22 ' A' ' 49' ' ' LEU . 46.2 m95 -64.63 -49.55 70.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.569 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.7 t -57.09 -43.91 82.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.539 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -59.3 -35.48 73.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.591 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.6 ttt -71.59 -32.88 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.678 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.8 ttt-85 -55.02 -41.17 70.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.809 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.17 -43.02 15.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.918 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.07 -57.02 9.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.415 HD21 ' HB ' ' A' ' 57' ' ' VAL . 6.9 tp -55.78 -43.74 77.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.403 ' O ' HD12 ' A' ' 129' ' ' ILE . 38.0 mt-30 -59.87 -45.39 92.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -68.27 -52.31 35.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.13 -32.45 64.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 21.1 ttm -67.06 -31.78 72.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.774 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 125.99 38.93 0.44 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.589 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.403 HD12 ' O ' ' A' ' 124' ' ' GLN . 5.9 mt . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.814 0.34 . . . . 0.0 111.054 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.788 0.327 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -54.69 -31.35 57.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 t -71.75 -29.93 65.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.655 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.421 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 60.6 tp60 -71.69 -41.37 68.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.413 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.543 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 90.2 mt -57.71 -45.6 85.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.145 0.498 . . . . 0.0 109.897 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.452 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 1.8 pp -81.2 -14.95 57.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.937 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.421 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 3.7 m -68.46 -28.29 66.91 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.831 0.348 . . . . 0.0 110.726 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.576 HG11 HG13 ' A' ' 106' ' ' VAL . 27.1 m -91.37 -38.57 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.275 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.652 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -61.88 -27.26 68.68 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.629 -0.429 . . . . 0.0 110.084 179.291 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -81.1 -40.54 23.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.405 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 3.0 pp0? -72.93 -36.59 67.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.777 HD12 ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -69.21 -62.65 1.29 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.625 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.72 -30.99 15.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -59.43 -46.28 89.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.618 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.3 m -86.48 -28.5 23.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.815 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.422 ' HB1' ' HE1' ' A' ' 73' ' ' TYR . . . -74.71 64.03 1.2 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.95 121.52 1.01 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.593 HD13 ' HD2' ' A' ' 50' ' ' PRO . 2.5 mm? -75.18 127.48 86.44 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.573 0.225 . . . . 0.0 110.802 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.593 ' HD2' HD13 ' A' ' 49' ' ' LEU . 37.6 Cg_endo -66.33 -87.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.331 2.021 . . . . 0.0 112.304 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.31 -71.34 0.21 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.887 0.375 . . . . 0.0 111.22 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -60.4 -43.61 96.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.339 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.41 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -52.61 -30.16 29.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.203 -179.741 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.607 ' HA ' HG12 ' A' ' 57' ' ' VAL . 26.7 t-80 -87.79 -36.56 17.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.902 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -21.9 31.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.308 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.431 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 1.9 t80 -95.2 -57.31 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.776 0.322 . . . . 0.0 110.995 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.931 HG23 HD12 ' A' ' 65' ' ' LEU . 15.0 p -61.11 -12.46 5.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.458 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 5.8 t -118.76 -33.43 4.24 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.062 0.394 . . . . 0.0 112.062 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.9 -9.81 18.65 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -124.23 -66.59 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.753 0.311 . . . . 0.0 111.73 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.402 ' CB ' ' HA ' ' A' ' 57' ' ' VAL . . . -41.71 153.33 0.27 Allowed Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.019 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.26 160.21 49.9 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.769 2.313 . . . . 0.0 112.445 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -52.97 -35.27 58.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.1 m -57.74 -40.88 80.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.779 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.931 HD12 HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -71.17 -29.91 65.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.815 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -74.77 -32.97 62.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -62.41 -44.96 95.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -73.24 -24.27 60.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.044 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -56.63 -57.7 11.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -72.79 -27.32 61.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.207 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.18 -60.32 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.26 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.723 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.3 pp -55.1 -44.43 74.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.194 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.723 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.2 t80 -68.9 -24.85 64.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.971 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -50.73 71.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.854 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.516 ' O ' HG23 ' A' ' 79' ' ' THR . 2.2 p-80 -74.16 -19.93 60.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.684 HG23 HD13 ' A' ' 43' ' ' LEU . 88.3 m -72.84 -45.92 55.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.862 0.363 . . . . 0.0 110.798 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -62.4 -42.95 99.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.359 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.67 -30.15 64.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.408 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 75' ' ' HIS . 2.8 p -70.08 -44.28 69.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.748 0.309 . . . . 0.0 110.991 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.652 HD23 ' HA ' ' A' ' 40' ' ' ARG . 23.7 mt -55.83 -25.38 41.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.89 -52.03 41.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 68.3 mtm -54.93 -26.16 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.565 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . . . -89.96 10.02 25.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.31 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -142.52 47.57 1.57 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.8 0.333 . . . . 0.0 110.663 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.22 -57.74 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.349 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -44.51 -29.14 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.092 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.7 m80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.976 -179.805 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.674 0.273 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.53 -46.71 0.84 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.474 2.116 . . . . 0.0 113.006 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -8.9 58.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.628 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -57.44 -56.44 21.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.88 0.371 . . . . 0.0 110.65 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.565 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 7.5 p30 -59.72 -49.71 76.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.816 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.576 HG13 HG11 ' A' ' 39' ' ' VAL . 31.8 t -51.34 -58.96 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.528 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -55.95 -50.98 69.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.132 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.33 -24.36 67.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.777 ' SD ' HD12 ' A' ' 43' ' ' LEU . 3.6 tpp -62.46 -58.35 7.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.997 0.427 . . . . 0.0 110.55 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.504 ' O ' HG22 ' A' ' 113' ' ' ILE . 11.1 mtp180 -55.82 -26.9 48.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.529 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 t -60.35 -40.21 89.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.571 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.706 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -63.77 -35.8 81.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.809 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 110' ' ' ARG . 1.1 tp -66.82 -32.25 57.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.801 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 110' ' ' ARG . 14.9 p -58.22 -52.0 67.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.037 0.446 . . . . 0.0 110.144 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -70.68 -49.0 51.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.441 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.48 ' CD1' HD13 ' A' ' 72' ' ' LEU . 27.1 m95 -58.34 -57.62 12.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.7 t -52.45 -42.28 64.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.71 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -61.1 -32.48 72.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.536 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.0 ttt -75.2 -37.98 60.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.762 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -50.24 -41.84 50.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.038 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -85.24 -40.23 16.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.42 -57.95 8.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.733 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.2 tp -56.87 -45.49 82.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -57.85 -47.18 83.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.989 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -66.7 -42.94 85.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.09 94.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.431 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 7.0 ttm -57.74 -44.79 86.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 151.0 45.88 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.548 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 33.6 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 111.076 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.629 HG23 ' H ' ' A' ' 35' ' ' GLN . 4.8 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.92 0.39 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -57.92 -38.08 75.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.863 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.4 m -67.05 -31.91 72.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.81 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.763 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -78.8 -34.81 45.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.465 HD11 ' O ' ' A' ' 102' ' ' PRO . 2.3 mm? -52.78 -48.13 67.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.066 0.46 . . . . 0.0 110.146 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.503 HD12 ' HD2' ' A' ' 41' ' ' HIS . 2.9 pp -79.1 -24.29 43.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.588 179.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.1 t -65.34 -29.77 70.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 35' ' ' GLN . 0.9 OUTLIER -82.58 -40.81 17.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.148 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.517 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -68.68 -20.83 64.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.743 0.306 . . . . 0.0 110.586 179.702 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.503 ' HD2' HD12 ' A' ' 37' ' ' LEU . 35.8 m-70 -81.59 -35.07 30.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 110.837 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -79.97 -34.37 38.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.891 HD13 HG23 ' A' ' 76' ' ' THR . 0.3 OUTLIER -77.26 -49.24 15.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.038 -179.538 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.465 ' HA ' HD11 ' A' ' 80' ' ' LEU . . . -53.09 -49.94 65.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.191 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.34 -49.58 77.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 m -64.35 -28.37 69.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.808 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -69.66 68.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.412 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 174.45 132.76 1.6 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.438 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.617 HD13 ' HB3' ' A' ' 53' ' ' GLN . 46.1 mt -67.03 149.78 98.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.59 0.233 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -60.8 -77.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.451 2.101 . . . . 0.0 112.548 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.53 -79.06 0.14 Allowed 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -57.38 -31.92 66.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.483 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.617 ' HB3' HD13 ' A' ' 49' ' ' LEU . 19.8 mp0 -50.76 -34.11 25.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.111 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.596 ' HA ' HG12 ' A' ' 57' ' ' VAL . 25.9 t-80 -77.71 -43.04 32.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.055 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.48 -22.06 19.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.415 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.408 ' CE2' ' HG ' ' A' ' 123' ' ' LEU . 1.0 OUTLIER -94.51 -51.94 4.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 110.978 -179.752 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.596 HG12 ' HA ' ' A' ' 54' ' ' HIS . 15.0 p -69.38 -9.82 12.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.83 -32.8 3.91 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.38 -9.88 21.78 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -129.85 -62.98 0.93 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.862 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.405 ' CB ' ' HA ' ' A' ' 57' ' ' VAL . . . -41.73 149.93 0.38 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.947 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.0 160.27 40.35 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.749 2.299 . . . . 0.0 112.42 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -30.27 11.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.5 p -61.17 -44.79 96.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.647 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.526 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -68.13 -31.51 71.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.646 179.746 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -77.08 -33.92 57.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.674 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -59.62 -45.23 92.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.777 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -71.14 -27.98 63.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -56.27 -46.94 79.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -73.33 -29.5 62.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -57.89 -65.11 0.69 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.767 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -53.61 -40.63 65.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.739 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.767 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.5 t80 -69.05 -30.18 68.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.766 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.0 p -55.26 -36.37 66.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.036 0.446 . . . . 0.0 110.315 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -24.07 40.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.529 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.891 HG23 HD13 ' A' ' 43' ' ' LEU . 62.5 m -76.38 -34.15 58.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -75.46 -30.91 60.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -37.89 19.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.185 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.466 HG22 ' HA ' ' A' ' 76' ' ' THR . 15.0 t -61.98 -44.72 96.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.763 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' ' 40' ' ' ARG . 56.9 mt -58.36 -46.84 85.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.705 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.43 -42.8 74.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.675 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 54.8 mtm -68.39 -29.16 67.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.676 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.532 ' HB2' ' CE ' ' A' ' 109' ' ' MET . . . -67.55 -52.04 43.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.997 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.465 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 1.9 p30 -87.51 47.49 1.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.014 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.3 tpp -130.29 -47.03 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.039 0.447 . . . . 0.0 110.948 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -51.84 -24.63 6.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.786 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.465 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 18.0 m80 . . . . . 0 C--N 1.331 -0.232 0 CA-C-O 120.941 0.4 . . . . 0.0 110.748 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.515 HD13 ' HE1' ' A' ' 103' ' ' HIS . 1.1 mt . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.536 0.208 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.465 ' O ' HD11 ' A' ' 36' ' ' LEU . 44.1 Cg_exo -56.11 -19.62 27.61 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.531 2.154 . . . . 0.0 112.75 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.515 ' HE1' HD13 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -98.31 -9.01 26.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.698 -179.606 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.75 -28.27 69.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.934 0.397 . . . . 0.0 110.745 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.401 ' OD1' HG13 ' A' ' 106' ' ' VAL . 3.3 p30 -79.05 -51.76 9.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.221 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.574 HG12 HG21 ' A' ' 39' ' ' VAL . 22.4 m -57.89 -28.31 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.736 0.303 . . . . 0.0 111.156 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -68.43 -57.1 6.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.324 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.87 -19.15 65.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.415 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.698 ' HG2' HG12 ' A' ' 39' ' ' VAL . 6.6 tpp -59.8 -66.02 0.58 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.735 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.767 ' O ' HG23 ' A' ' 114' ' ' THR . 0.6 OUTLIER -56.44 -26.97 55.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.724 179.654 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.33 -34.49 72.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.55 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.605 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -69.81 -45.3 68.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.998 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -60.7 -34.64 59.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.767 HG23 ' O ' ' A' ' 110' ' ' ARG . 23.6 p -58.38 -49.84 75.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.082 0.468 . . . . 0.0 110.014 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -73.34 -46.68 47.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.484 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.514 ' CD1' HD13 ' A' ' 72' ' ' LEU . 38.2 m95 -59.94 -54.93 40.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.791 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 54.8 m -52.74 -43.37 65.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.772 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -60.1 -37.86 81.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.595 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.9 ttt -63.33 -36.71 84.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.535 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -55.08 -43.52 74.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.663 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -80.9 -48.16 12.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.014 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.06 -59.46 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.308 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.576 HD21 ' HB ' ' A' ' 57' ' ' VAL . 8.5 tp -53.05 -38.36 62.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -62.96 -47.21 84.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -59.86 -51.56 69.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.73 71.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.4 ' HG3' ' CB ' ' A' ' 56' ' ' PHE . 13.4 ttm -63.23 -46.68 85.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.716 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 150.72 41.31 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.475 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 22.6 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 111.128 -180.0 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.669 HG23 ' H ' ' A' ' 35' ' ' GLN . 4.0 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.919 0.39 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -38.79 92.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.577 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.0 m -65.56 -35.06 79.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.493 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.675 ' O ' HG23 ' A' ' 39' ' ' VAL . 2.7 tt0 -72.18 -38.29 69.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.521 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.704 HD11 ' O ' ' A' ' 102' ' ' PRO . 1.9 mm? -52.91 -48.53 67.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.049 0.452 . . . . 0.0 110.141 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.454 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 3.4 pp -81.02 -18.0 48.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.741 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.4 t -73.8 -23.66 59.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.847 0.356 . . . . 0.0 110.598 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.958 HG12 ' HG2' ' A' ' 109' ' ' MET . 22.5 t -87.69 -35.46 8.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.407 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -75.29 -30.4 60.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.103 179.175 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -70.93 -37.06 72.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.106 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -77.64 -30.19 52.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.888 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.88 HD11 ' HB3' ' A' ' 112' ' ' ALA . 0.3 OUTLIER -81.3 -50.63 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 -179.623 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.498 ' HA ' HD11 ' A' ' 80' ' ' LEU . . . -53.79 -45.37 70.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.9 0.381 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -59.55 -47.74 84.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -70.62 -26.33 63.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.813 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -73.94 73.55 1.64 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.072 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.411 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 167.64 142.79 3.57 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.548 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.705 HD13 ' HA ' ' A' ' 54' ' ' HIS . 4.6 mt -75.68 122.98 88.17 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.401 0.143 . . . . 0.0 110.773 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.39 -69.15 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.263 1.975 . . . . 0.0 112.428 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -148.46 -80.71 0.13 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.731 0.3 . . . . 0.0 111.521 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -65.74 -28.37 68.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.547 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.738 ' O ' HG12 ' A' ' 57' ' ' VAL . 16.0 mp0 -50.06 -31.67 13.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.281 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.705 ' HA ' HD13 ' A' ' 49' ' ' LEU . 32.7 t-80 -79.04 -51.42 9.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.32 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -45.6 -28.14 0.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.185 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.429 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 5.8 t80 -93.47 -59.25 2.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.341 . . . . 0.0 111.247 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.744 ' HB ' HD21 ' A' ' 123' ' ' LEU . 12.1 p -58.98 -14.36 4.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.451 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 0.3 OUTLIER -117.9 -28.66 5.87 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.117 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.87 -9.79 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -124.32 -65.24 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' PHE . . . -41.0 149.94 0.32 Allowed Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.101 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.32 160.33 39.22 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.888 2.392 . . . . 0.0 112.378 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.415 ' HG2' ' N ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -47.84 -28.38 2.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.176 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.415 ' N ' ' HG2' ' A' ' 63' ' ' GLN . 73.7 p -59.31 -47.15 86.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.072 0.463 . . . . 0.0 110.629 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.641 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -76.87 -28.76 55.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.984 179.786 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' A' ' 69' ' ' TYR . 3.7 mtp180 -75.43 -51.66 12.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.562 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -57.84 -33.65 68.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.655 0.264 . . . . 0.0 111.178 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.537 ' HD3' HD22 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -74.28 -28.57 61.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.86 0.362 . . . . 0.0 110.725 179.617 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.671 ' CE2' HD11 ' A' ' 49' ' ' LEU . 6.4 t80 -55.8 -51.72 66.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.795 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -66.03 -34.18 77.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.985 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -60.63 -62.65 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.021 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.821 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -56.54 -37.83 71.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.821 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.0 t80 -74.18 -29.83 61.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.4 t -53.13 -44.89 68.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.953 0.406 . . . . 0.0 110.657 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.644 ' O ' HG23 ' A' ' 79' ' ' THR . 3.9 m-70 -73.24 -37.66 66.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.578 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.813 HG21 ' CB ' ' A' ' 47' ' ' ALA . 57.8 m -54.42 -37.95 65.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -68.31 -57.41 5.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.218 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.73 -28.46 69.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.222 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 75' ' ' HIS . 16.8 p -66.77 -55.91 12.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.369 . . . . 0.0 110.795 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.498 HD11 ' HA ' ' A' ' 44' ' ' ALA . 41.3 mt -53.47 -32.95 52.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.33 -38.46 89.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.4 ' HE3' ' HA ' ' A' ' 105' ' ' ASN . 47.1 mtm -69.91 -30.42 67.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.427 ' CB ' ' HB3' ' A' ' 40' ' ' ARG . . . -80.26 -35.46 35.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -92.51 40.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.902 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.2 -41.24 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -44.78 -28.89 0.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.803 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.784 0.326 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.61 HD13 ' HE1' ' A' ' 103' ' ' HIS . 0.6 OUTLIER . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.607 0.242 . . . . 0.0 110.582 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.704 ' O ' HD11 ' A' ' 36' ' ' LEU . 31.5 Cg_exo -59.86 -8.64 8.05 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.919 2.413 . . . . 0.0 113.929 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.61 ' HE1' HD13 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -98.82 -9.05 24.87 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.667 -179.738 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -64.2 -52.56 58.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.848 0.356 . . . . 0.0 110.734 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.414 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 10.7 p30 -64.01 -33.8 76.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 38.7 t -55.74 -67.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.324 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -52.61 -39.1 61.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.972 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.448 ' CG ' HG22 ' A' ' 79' ' ' THR . 1.2 t0 -70.04 -30.91 68.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.958 ' HG2' HG12 ' A' ' 39' ' ' VAL . 22.7 tpp -59.77 -58.53 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.15 0.5 . . . . 0.0 110.409 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.403 ' O ' HG22 ' A' ' 113' ' ' ILE . 3.0 mtp180 -55.09 -27.66 46.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.598 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.7 -41.03 80.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.052 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.88 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -67.46 -49.82 61.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.742 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.413 ' HB ' HD23 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -62.69 -25.83 39.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.796 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 87.6 m -61.49 -40.5 94.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.029 0.442 . . . . 0.0 110.029 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -85.03 -40.67 16.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.397 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.482 ' CD1' HD13 ' A' ' 72' ' ' LEU . 43.4 m95 -64.85 -47.26 78.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.586 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.4 m -57.03 -50.33 73.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.341 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -58.19 -29.84 65.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.239 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.468 ' HG3' HD13 ' A' ' 123' ' ' LEU . 12.9 ttm -69.09 -44.18 73.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.433 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -48.99 -39.53 27.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.801 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -82.77 -41.96 18.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.819 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.73 -60.02 3.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.1 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.744 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.1 tp -51.32 -45.69 62.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -62.91 -41.4 99.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.803 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -68.9 -48.33 63.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.72 -49.8 76.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.429 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 11.8 ttm -52.56 -34.26 49.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 129.04 46.32 0.18 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.588 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 22.2 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 111.092 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.467 ' O ' HD23 ' A' ' 36' ' ' LEU . 1.4 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.797 0.332 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -60.9 -42.03 97.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.424 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 t -66.66 -23.78 66.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.486 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -40.13 47.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.615 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.594 HD11 ' O ' ' A' ' 102' ' ' PRO . 4.3 mm? -52.9 -46.07 67.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.109 0.48 . . . . 0.0 109.913 179.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 pp -81.25 -25.65 36.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.584 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.4 t -59.32 -39.69 83.91 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.989 0.423 . . . . 0.0 110.549 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.402 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 38.6 t -78.16 -34.31 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.906 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.63 ' HA ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -68.2 -28.43 67.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.422 179.647 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -72.67 -37.86 67.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.667 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 2.0 pp0? -79.63 -30.58 41.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.046 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.866 ' CD1' HG23 ' A' ' 76' ' ' THR . 0.3 OUTLIER -77.79 -67.68 0.7 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.822 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 1.15 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -45.25 -48.19 12.82 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.794 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -53.85 -57.64 10.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.121 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.9 m -62.72 -27.52 69.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.553 ' HB1' ' CE1' ' A' ' 73' ' ' TYR . . . -71.16 64.72 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.203 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.476 ' N ' ' CZ3' ' A' ' 116' ' ' TRP . . . 179.7 109.6 0.26 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.787 HD23 ' CE2' ' A' ' 69' ' ' TYR . 2.9 mm? -60.35 146.89 83.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.565 0.221 . . . . 0.0 110.585 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -60.99 -82.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.491 2.127 . . . . 0.0 112.388 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -148.25 -67.9 0.23 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.755 0.312 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -58.82 -35.54 73.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.99 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.561 ' HB3' HD12 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -57.88 -38.0 74.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.003 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.684 ' HA ' HG12 ' A' ' 57' ' ' VAL . 29.6 t-80 -80.26 -33.98 37.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.034 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.53 -18.57 53.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.425 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.405 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 1.2 t80 -98.83 -49.27 4.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.72 0.295 . . . . 0.0 111.113 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.969 HG23 HD12 ' A' ' 65' ' ' LEU . 14.5 p -65.88 -9.99 9.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.5 p -123.97 -37.81 2.55 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.55 -9.84 39.75 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -130.19 -64.04 0.87 Allowed 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.744 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.96 149.96 0.32 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.05 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.28 160.3 45.31 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.763 2.309 . . . . 0.0 112.512 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.91 -28.59 3.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.22 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.1 m -60.8 -47.25 87.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.694 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.969 HD12 HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -77.78 -32.34 52.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.606 179.758 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -62.59 -53.07 60.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 68' ' ' ARG . 28.1 p30 -60.17 -31.74 70.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.91 0.386 . . . . 0.0 110.203 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.454 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 1.1 ttt180 -66.48 -30.78 71.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.177 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.787 ' CE2' HD23 ' A' ' 49' ' ' LEU . 7.6 t80 -60.05 -57.12 14.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.76 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -74.11 -29.05 61.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.05 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -61.01 -60.98 2.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.802 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -58.14 -36.68 73.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.802 ' N ' HD12 ' A' ' 72' ' ' LEU . 8.0 t80 -74.79 -31.7 61.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.49 -41.95 63.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.983 0.42 . . . . 0.0 110.508 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -75.26 -31.68 60.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.427 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.866 HG23 ' CD1' ' A' ' 43' ' ' LEU . 52.7 m -64.71 -42.15 95.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.953 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -62.5 -51.81 65.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.382 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.403 ' HD2' HG23 ' A' ' 79' ' ' THR . 0.0 OUTLIER -66.57 -35.07 79.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.64 -179.382 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.557 HG22 ' CB ' ' A' ' 108' ' ' ASP . 1.1 p -59.36 -55.76 30.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.704 0.287 . . . . 0.0 111.169 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 1.15 HD13 ' HB2' ' A' ' 44' ' ' ALA . 19.6 mt -55.97 -34.67 65.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -57.18 -33.1 67.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.513 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.439 ' HB2' ' HB3' ' A' ' 105' ' ' ASN . 22.1 mtp -77.73 -27.25 50.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.571 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.429 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . . . -81.86 -38.62 25.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.805 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -92.54 45.65 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.678 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.06 -41.85 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.15 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -48.35 -27.73 2.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.348 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.2 m80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.78 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.421 ' HB2' ' CE1' ' A' ' 103' ' ' HIS . 47.3 mt . . . . . 0 CA--C 1.531 0.228 0 CA-C-O 120.715 0.293 . . . . 0.0 110.812 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.594 ' O ' HD11 ' A' ' 36' ' ' LEU . 75.9 Cg_exo -48.56 -15.02 0.41 Allowed 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.984 2.456 . . . . 0.0 114.081 -179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.463 ' O ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -92.72 -8.67 43.22 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.5 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -79.61 -46.32 17.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.764 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.439 ' HB3' ' HB2' ' A' ' 82' ' ' MET . 13.0 p30 -62.49 -41.38 98.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.485 HG23 ' N ' ' A' ' 107' ' ' ASP . 11.2 m -59.48 -45.27 93.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.766 0.317 . . . . 0.0 110.933 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.485 ' N ' HG23 ' A' ' 106' ' ' VAL . 0.4 OUTLIER -65.38 -40.8 93.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.532 179.728 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.557 ' CB ' HG22 ' A' ' 79' ' ' THR . 9.4 m-20 -73.92 -26.5 60.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.813 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.538 ' CG ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -66.99 -58.89 4.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.919 0.39 . . . . 0.0 110.563 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.618 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -54.33 -28.67 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.619 179.57 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.1 m -62.66 -37.94 88.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.458 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.603 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -58.7 -42.96 89.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.78 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.4 OUTLIER -61.87 -27.47 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.735 179.73 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 27.7 m -60.98 -42.01 97.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.995 0.426 . . . . 0.0 110.104 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -82.35 -39.84 22.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.485 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.569 ' CZ3' HD22 ' A' ' 49' ' ' LEU . 29.5 m95 -66.57 -48.86 68.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.767 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.2 t -54.52 -46.3 73.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.527 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -59.31 -34.41 72.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.534 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 1.8 ttt -65.98 -36.96 84.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.611 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -54.59 -48.52 72.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.782 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -83.26 -42.33 17.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.975 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.94 -60.26 3.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.313 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.7 HD21 ' HB ' ' A' ' 57' ' ' VAL . 7.3 tp -54.7 -42.63 71.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -60.33 -49.42 77.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 -59.57 -48.6 81.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.28 75.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 12.5 ttm -60.06 -34.07 72.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 134.26 41.88 0.15 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.546 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 24.1 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.342 . . . . 0.0 111.1 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.863 0.363 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.85 -35.92 64.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.815 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.72 -26.63 64.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.478 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.564 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 2.3 tp-100 -72.13 -46.06 58.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.743 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.434 ' HB2' ' NE2' ' A' ' 87' ' ' HIS . 3.8 mm? -52.87 -46.41 67.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.195 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.404 HD12 ' HD2' ' A' ' 41' ' ' HIS . 3.6 pp -81.39 -24.9 36.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.979 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.564 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 0.6 OUTLIER -59.48 -46.24 89.38 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.795 0.331 . . . . 0.0 110.945 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.45 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . 35.6 t -74.18 -37.57 46.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.501 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -64.82 -26.53 68.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.454 179.807 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.457 ' CE1' ' NH1' ' A' ' 40' ' ' ARG . 23.7 m-70 -73.5 -36.87 65.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.34 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.45 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 5.9 pt20 -79.51 -31.95 42.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.757 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.917 ' CD1' HG23 ' A' ' 76' ' ' THR . 0.2 OUTLIER -77.64 -66.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.932 -179.787 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.972 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -46.41 -40.86 12.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.49 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -57.68 -57.98 10.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.85 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 31.9 t -65.01 -30.07 71.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.65 ' HB1' ' CE1' ' A' ' 73' ' ' TYR . . . -72.32 68.44 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.6 145.45 6.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.899 HD12 ' HB3' ' A' ' 53' ' ' GLN . 3.2 mm? -105.1 134.12 19.81 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.597 0.237 . . . . 0.0 110.832 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.64 -78.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.421 2.08 . . . . 0.0 112.342 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -148.12 -67.07 0.24 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.842 0.353 . . . . 0.0 111.126 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.29 -35.15 76.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.899 ' HB3' HD12 ' A' ' 49' ' ' LEU . 57.1 mt-30 -58.26 -41.32 83.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.038 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.565 ' HA ' HG12 ' A' ' 57' ' ' VAL . 24.0 t-80 -79.71 -46.96 16.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -54.63 -23.1 15.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.275 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.439 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 1.0 OUTLIER -90.12 -52.42 4.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.99 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.973 HG23 HD12 ' A' ' 65' ' ' LEU . 13.7 p -68.52 -9.83 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.4 p -121.12 -38.9 2.75 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.07 -9.9 35.18 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -128.25 -62.37 1.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.758 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.71 149.95 0.38 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.936 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.99 160.25 48.11 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.779 2.319 . . . . 0.0 112.451 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -49.46 -32.45 12.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.4 m -60.45 -45.07 95.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.732 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.973 HD12 HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -67.87 -34.41 76.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.684 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -70.31 -32.91 70.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.812 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -59.56 -48.22 82.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.813 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -73.79 -25.7 60.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.405 ' OH ' HD23 ' A' ' 49' ' ' LEU . 51.5 t80 -54.75 -62.1 1.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.146 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -70.15 -29.79 66.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.254 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -58.05 -63.89 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.245 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.835 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -54.0 -39.11 65.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.298 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.835 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.0 t80 -74.77 -28.66 60.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.229 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.0 p -52.13 -51.68 56.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.956 0.408 . . . . 0.0 110.557 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.901 ' O ' HG23 ' A' ' 79' ' ' THR . 0.0 OUTLIER -66.18 -37.23 85.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.433 179.5 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.917 HG23 ' CD1' ' A' ' 43' ' ' LEU . 87.9 m -56.05 -48.06 76.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.973 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -60.0 -31.05 69.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -86.19 -32.33 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.981 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.901 HG23 ' O ' ' A' ' 75' ' ' HIS . 81.2 p -62.07 -52.09 65.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.157 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.972 HD13 ' HB2' ' A' ' 44' ' ' ALA . 20.7 mt -62.0 -29.01 69.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.822 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -60.07 4.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.787 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 53.8 mtm -56.37 -26.82 54.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.849 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.628 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . . . -71.03 -54.27 11.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.465 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 1.3 t70 -81.74 49.96 1.43 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.251 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -130.55 -47.67 1.06 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.924 0.392 . . . . 0.0 111.041 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -61.18 -16.63 46.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.917 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.465 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 53.4 m80 . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.828 0.347 . . . . 0.0 111.254 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 10.8 mt . . . . . 0 CA--C 1.529 0.154 0 CA-C-O 120.641 0.258 . . . . 0.0 110.604 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 101' ' ' LEU . 47.8 Cg_exo -56.48 -23.92 50.18 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.554 2.169 . . . . 0.0 112.889 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.493 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -104.54 -8.79 18.78 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.365 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -51.93 -29.89 22.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.874 0.369 . . . . 0.0 111.069 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.66 ' OD1' HG13 ' A' ' 106' ' ' VAL . 6.4 p30 -79.13 -53.73 6.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.383 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.66 HG13 ' OD1' ' A' ' 105' ' ' ASN . 35.5 m -63.62 -46.24 95.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.444 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.496 ' N ' HG23 ' A' ' 106' ' ' VAL . 0.3 OUTLIER -59.1 -55.59 33.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.874 0.368 . . . . 0.0 110.877 -179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.637 ' OD2' HG22 ' A' ' 79' ' ' THR . 1.2 t70 -62.66 -26.08 68.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -50.25 70.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.888 0.375 . . . . 0.0 110.631 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.563 ' O ' HG22 ' A' ' 113' ' ' ILE . 5.6 mtp180 -57.99 -29.54 65.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.618 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.1 m -63.75 -38.8 92.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.746 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.782 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -59.2 -45.43 91.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.035 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.563 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.5 OUTLIER -63.03 -26.53 41.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.911 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 34.5 m -60.21 -40.98 92.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.028 0.442 . . . . 0.0 110.117 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.31 -41.94 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.411 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.521 ' CD1' HD13 ' A' ' 72' ' ' LEU . 41.1 m95 -63.19 -47.77 81.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.655 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 25.8 t -56.58 -49.62 74.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.456 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -59.55 -31.82 69.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.448 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.2 ttt -72.71 -32.9 66.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.519 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -43.82 74.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.56 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -84.0 -35.91 23.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.869 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.24 -59.99 2.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.15 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.492 ' HA ' HD12 ' A' ' 123' ' ' LEU . 5.6 tp -53.88 -44.72 70.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.071 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.701 ' CB ' HD12 ' A' ' 129' ' ' ILE . 6.2 mt-30 -59.24 -49.9 76.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -58.68 -50.47 73.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.014 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.15 -39.73 93.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.439 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 12.0 ttm -59.13 -33.61 71.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 135.04 39.89 0.17 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.575 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.701 HD12 ' CB ' ' A' ' 124' ' ' GLN . 33.0 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.778 0.323 . . . . 0.0 111.036 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.514 HG23 ' H ' ' A' ' 35' ' ' GLN . 12.4 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.847 0.356 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.1 m -60.5 -29.64 69.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.6 m -67.9 -36.07 79.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.64 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.539 ' OE1' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -77.47 -33.44 54.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.639 179.764 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.513 HD23 ' O ' ' A' ' 32' ' ' THR . 3.3 mm? -52.89 -48.46 67.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.207 0.527 . . . . 0.0 109.909 179.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 pp -81.12 -21.84 39.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.477 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.0 t -58.76 -42.93 90.06 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 120.888 0.375 . . . . 0.0 110.76 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.539 HG23 ' OE1' ' A' ' 35' ' ' GLN . 22.9 t -77.56 -43.12 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.562 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -61.53 -25.15 67.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.518 179.801 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -78.16 -34.38 49.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.827 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -27.95 26.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.806 ' CD1' HG23 ' A' ' 76' ' ' THR . 1.3 tm? -80.59 -54.83 5.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.942 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.675 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -56.7 -50.21 72.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.147 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.83 -44.38 82.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.823 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 t -75.66 -23.23 56.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.535 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -69.94 68.0 0.29 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.019 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.417 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 171.85 173.81 38.93 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.446 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.8 mt -111.02 158.01 37.07 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.594 0.235 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -66.91 -77.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.575 2.183 . . . . 0.0 112.48 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.59 -76.46 0.16 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.87 0.367 . . . . 0.0 111.338 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.68 -40.73 80.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.316 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -27.59 26.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.229 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.635 ' HA ' HG12 ' A' ' 57' ' ' VAL . 18.8 t-80 -86.5 -40.82 14.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.881 0.372 . . . . 0.0 111.009 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -16.71 51.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.437 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -98.09 -35.09 10.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.465 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.882 HG23 HD12 ' A' ' 65' ' ' LEU . 14.8 p -79.06 -9.96 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.13 -41.95 2.3 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.94 -9.78 54.83 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -130.89 -61.03 0.95 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.13 149.9 0.66 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.947 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.38 160.33 35.69 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.916 2.41 . . . . 0.0 112.484 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.42 -30.39 5.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.02 -44.93 96.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.472 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.882 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -70.72 -33.59 71.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.503 179.708 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -74.92 -33.02 61.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.767 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -58.74 -46.02 88.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.937 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -73.32 -33.39 65.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -59.69 -55.3 36.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -70.01 -29.98 67.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.025 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -64.97 -57.7 8.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.041 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.798 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.4 pp -59.34 -31.69 69.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.798 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.0 t80 -79.23 -30.35 43.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.148 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 m -54.55 -54.01 46.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.969 0.414 . . . . 0.0 110.58 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.885 ' O ' HG23 ' A' ' 79' ' ' THR . 40.0 m170 -63.88 -37.52 87.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.442 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.806 HG23 ' CD1' ' A' ' 43' ' ' LEU . 85.8 m -56.23 -43.42 78.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.798 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.43 -36.3 75.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.687 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.66 -36.29 26.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.755 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.885 HG23 ' O ' ' A' ' 75' ' ' HIS . 60.1 p -56.34 -47.76 78.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.675 HD13 ' HB2' ' A' ' 44' ' ' ALA . 5.3 mt -67.81 -37.08 81.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.74 -44.96 70.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.6 mtp -66.69 -27.71 67.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.747 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.01 -60.88 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.439 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 2.6 p30 -82.63 56.62 3.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.1 tpp -130.21 -48.67 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -55.46 -23.34 24.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.792 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.439 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 16.5 m80 . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 121.003 0.43 . . . . 0.0 111.053 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.479 HD13 ' HE1' ' A' ' 103' ' ' HIS . 1.1 mt . . . . . 0 CA--C 1.529 0.149 0 CA-C-O 120.528 0.204 . . . . 0.0 110.685 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.425 ' O ' HD11 ' A' ' 36' ' ' LEU . 42.9 Cg_exo -56.59 -23.35 48.04 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.456 2.104 . . . . 0.0 112.686 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.479 ' HE1' HD13 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -91.94 -8.85 45.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.643 -179.652 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -72.13 -29.69 64.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.936 0.398 . . . . 0.0 110.434 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.523 ' OD1' HG13 ' A' ' 106' ' ' VAL . 8.6 p30 -78.4 -47.55 17.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.077 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.523 HG13 ' OD1' ' A' ' 105' ' ' ASN . 22.1 m -58.4 -44.12 87.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.258 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.475 ' N ' HG23 ' A' ' 106' ' ' VAL . 66.1 m-20 -59.95 -50.91 71.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.749 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.578 ' HB3' HG22 ' A' ' 79' ' ' THR . 13.1 m-20 -66.09 -29.28 69.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -48.67 77.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.611 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.445 ' O ' HG22 ' A' ' 113' ' ' ILE . 7.5 mtp180 -57.19 -32.88 66.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.682 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.2 m -60.18 -38.69 83.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.738 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.64 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -60.02 -42.46 94.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.215 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.8 OUTLIER -63.68 -31.8 54.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.353 -179.675 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 110' ' ' ARG . 15.8 p -57.49 -51.81 67.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.021 0.439 . . . . 0.0 110.351 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -71.93 -47.13 54.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.729 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.482 ' CD1' HD13 ' A' ' 72' ' ' LEU . 53.9 m95 -60.27 -54.3 47.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.4 m -54.03 -47.25 71.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.025 0.44 . . . . 0.0 110.58 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -60.41 -32.69 71.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.547 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.4 ttt -73.17 -35.64 66.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.661 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -44.28 63.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.668 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -80.86 -38.81 27.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.047 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.38 -58.68 4.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.196 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.556 HD21 ' HB ' ' A' ' 57' ' ' VAL . 4.9 tp -50.98 -43.74 60.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.574 ' O ' HD12 ' A' ' 129' ' ' ILE . 0.6 OUTLIER -58.37 -40.76 83.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.776 179.872 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -64.91 -54.86 24.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.53 -29.37 69.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 16.5 ttm -64.07 -33.88 76.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 130.88 36.04 0.37 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.799 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.574 HD12 ' O ' ' A' ' 124' ' ' GLN . 2.2 mp . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 120.765 0.316 . . . . 0.0 111.017 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.447 HG22 ' H ' ' A' ' 34' ' ' SER . 5.0 m . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 120.779 0.323 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 p -47.43 -35.27 8.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.287 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.447 ' H ' HG22 ' A' ' 32' ' ' THR . 1.7 m -70.35 -32.84 70.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.434 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.418 ' HA ' ' HB3' ' A' ' 38' ' ' SER . 0.1 OUTLIER -65.7 -43.42 89.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.538 179.705 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.403 ' HG ' ' HB3' ' A' ' 86' ' ' GLN . 4.3 mm? -53.01 -50.61 63.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.09 179.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.663 HD12 ' HD2' ' A' ' 41' ' ' HIS . 1.4 pp -81.39 -17.5 48.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.198 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.418 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 34.1 t -67.93 -31.87 71.93 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.743 0.306 . . . . 0.0 111.173 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.435 ' HB ' ' HG2' ' A' ' 109' ' ' MET . 6.0 m -88.32 -37.04 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.334 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.516 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -63.53 -24.76 67.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.954 0.406 . . . . 0.0 110.404 179.492 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.663 ' HD2' HD12 ' A' ' 37' ' ' LEU . 38.7 m-70 -84.19 -36.26 22.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.452 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -30.42 30.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.744 ' CD1' HG23 ' A' ' 76' ' ' THR . 0.5 OUTLIER -78.49 -58.68 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.998 -179.651 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.512 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -53.42 -43.04 67.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.359 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -57.38 -47.5 81.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.994 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.407 ' CB ' HD11 ' A' ' 113' ' ' ILE . 2.8 m -74.64 -25.92 59.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.034 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.506 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -68.96 73.65 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.066 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.412 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 162.95 118.87 0.47 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.582 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.736 HD13 ' HB3' ' A' ' 53' ' ' GLN . 22.9 mt -65.67 149.35 97.46 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.676 0.274 . . . . 0.0 110.829 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.09 -82.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.553 2.169 . . . . 0.0 112.446 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.09 -68.45 0.23 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.772 0.32 . . . . 0.0 110.994 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -32.27 71.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.731 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.736 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -62.85 -36.23 82.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.601 ' HA ' HG12 ' A' ' 57' ' ' VAL . 22.8 t-80 -84.19 -39.11 19.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -54.55 -22.52 13.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.431 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.41 ' CE2' ' HG ' ' A' ' 123' ' ' LEU . 1.2 t80 -93.88 -54.41 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.759 0.314 . . . . 0.0 111.214 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.955 HG23 HD12 ' A' ' 65' ' ' LEU . 12.3 p -65.14 -9.96 8.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.445 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 2.1 m -121.94 -28.99 4.35 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.41 -9.83 16.56 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -179.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -127.15 -62.15 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.704 0.288 . . . . 0.0 111.706 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.68 149.96 0.37 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.001 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.91 160.29 46.29 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.813 2.342 . . . . 0.0 112.56 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.404 ' HA ' ' CD ' ' A' ' 66' ' ' ARG . 0.7 OUTLIER -48.85 -29.0 4.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.353 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -59.88 -47.25 86.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.816 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.955 HD12 HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -77.31 -32.01 55.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.719 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.404 ' CD ' ' HA ' ' A' ' 63' ' ' GLN . 9.0 mtt180 -62.28 -53.12 59.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 68' ' ' ARG . 28.4 p30 -60.01 -31.89 70.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.894 0.378 . . . . 0.0 110.233 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.442 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 0.5 OUTLIER -66.43 -30.99 71.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.172 179.07 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -59.76 -65.18 0.72 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.922 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -57.94 -25.56 61.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.272 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -58.37 -68.22 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.249 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.848 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.5 pp -56.57 -36.56 69.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.136 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.848 ' N ' HD12 ' A' ' 72' ' ' LEU . 3.9 t80 -71.84 -29.9 64.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.0 -48.33 73.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.968 0.414 . . . . 0.0 110.511 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -73.14 -21.58 60.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.729 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.744 HG23 ' CD1' ' A' ' 43' ' ' LEU . 19.8 m -76.39 -36.77 57.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.084 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -75.29 -22.7 57.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.373 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.32 -26.85 15.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.506 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.58 HG22 ' HA ' ' A' ' 76' ' ' THR . 11.5 t -75.24 -42.32 55.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.344 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.584 HD21 ' HB3' ' A' ' 43' ' ' LEU . 20.3 mt -57.04 -35.35 69.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.116 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.71 -43.45 98.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.3 mtm -61.39 -21.26 63.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.209 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.702 ' HB2' ' CE ' ' A' ' 109' ' ' MET . . . -76.1 -40.09 53.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.763 0.316 . . . . 0.0 111.157 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.44 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 2.0 t0 -86.97 43.74 1.12 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.322 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 28.7 mtp -130.55 -44.78 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.992 0.425 . . . . 0.0 111.038 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.403 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 10.4 tp-100 -52.43 -27.37 15.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.218 -179.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 11.6 m80 . . . . . 0 C--N 1.33 -0.248 0 CA-C-O 120.94 0.4 . . . . 0.0 111.248 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.4 ' HB2' ' CG ' ' A' ' 104' ' ' GLU . 14.7 mt . . . . . 0 CA--C 1.527 0.083 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.36 -39.32 2.92 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.667 2.244 . . . . 0.0 112.801 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.36 -8.83 59.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.709 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.4 ' CG ' ' HB2' ' A' ' 101' ' ' LEU . 1.6 mm-40 -52.15 -58.01 7.87 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.933 0.397 . . . . 0.0 110.789 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -60.2 -46.44 89.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.707 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.43 -44.37 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.223 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -56.78 -55.06 39.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.804 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.9 -22.8 64.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.702 ' CE ' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -58.41 -66.07 0.55 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.845 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.444 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -56.82 -30.32 63.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.866 179.842 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.5 t -58.44 -36.25 73.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.66 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.632 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -66.61 -47.54 72.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.727 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.444 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.4 OUTLIER -62.89 -28.33 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.619 179.626 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.7 m -59.69 -38.86 82.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.266 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.507 ' HB3' HD22 ' A' ' 72' ' ' LEU . 3.6 t0 -87.16 -42.04 13.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.324 179.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.412 ' CH2' ' HA2' ' A' ' 48' ' ' GLY . 56.2 m95 -62.21 -49.77 74.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.488 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.4 t -58.17 -49.73 76.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.366 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -60.75 -32.62 71.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.431 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.61 ' HG2' HD22 ' A' ' 123' ' ' LEU . 3.3 ttt -65.37 -43.98 89.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.682 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -52.27 -39.77 60.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.816 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -83.05 -34.91 26.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.63 -59.38 2.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.664 HD21 ' HB ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER -52.73 -44.12 66.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.977 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -57.9 -36.29 72.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -74.12 -45.72 47.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.84 81.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.078 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 11.8 ttm -60.14 -49.38 77.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 157.65 42.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.534 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 37.2 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.121 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.723 HG23 ' H ' ' A' ' 35' ' ' GLN . 4.9 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.879 0.371 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.34 -37.89 89.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.801 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.3 m -65.88 -39.82 91.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.594 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.723 ' H ' HG23 ' A' ' 32' ' ' THR . 0.5 OUTLIER -68.08 -38.03 81.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.56 179.701 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.649 HD11 ' O ' ' A' ' 102' ' ' PRO . 2.0 mm? -52.98 -51.03 62.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.187 0.518 . . . . 0.0 110.082 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.489 ' C ' HD12 ' A' ' 37' ' ' LEU . 3.2 pp -80.98 -15.51 56.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.967 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.411 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 31.3 t -71.13 -27.59 63.68 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-O 120.828 0.347 . . . . 0.0 110.699 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 35' ' ' GLN . 14.4 t -88.05 -37.75 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.773 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.488 ' HB3' ' HE3' ' A' ' 109' ' ' MET . 0.0 OUTLIER -69.69 -28.89 66.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.301 179.476 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -75.79 -36.54 59.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.324 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.0 -31.07 31.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.815 HD11 HG23 ' A' ' 76' ' ' THR . 2.0 tm? -78.48 -57.22 3.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.548 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -54.41 -39.55 67.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.231 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.04 -49.91 76.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.37 -28.53 64.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.493 ' HB1' ' CE1' ' A' ' 73' ' ' TYR . . . -67.15 75.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.111 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.446 ' N ' ' CZ3' ' A' ' 116' ' ' TRP . . . 162.97 128.17 0.93 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.544 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.434 HD13 ' HB3' ' A' ' 53' ' ' GLN . 74.5 mt -71.8 146.12 90.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.645 0.259 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.72 -79.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.631 2.221 . . . . 0.0 112.51 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.09 -73.11 0.2 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.754 0.312 . . . . 0.0 110.973 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.43 -30.75 67.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.434 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -61.9 -30.57 70.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.429 ' HA ' HG12 ' A' ' 57' ' ' VAL . 28.9 t-80 -85.57 -37.61 19.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -60.21 -18.43 48.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.451 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.429 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 0.7 OUTLIER -94.71 -55.98 2.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.724 0.297 . . . . 0.0 111.096 -179.713 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.962 HG23 HD12 ' A' ' 65' ' ' LEU . 10.5 p -63.89 -10.43 7.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.7 p -120.72 -41.33 2.58 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.9 -9.81 41.87 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -126.9 -63.64 1.05 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.697 0.284 . . . . 0.0 111.658 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.48 150.01 0.55 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.852 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.8 160.24 48.47 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.693 2.262 . . . . 0.0 112.312 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.48 -30.25 7.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.8 m -62.17 -46.92 86.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.764 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.962 HD12 HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -65.49 -30.73 71.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.726 179.847 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -73.15 -32.94 65.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -59.86 -48.49 81.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -29.07 69.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.958 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -57.41 -62.37 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -68.2 -25.24 65.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -61.95 2.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.999 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.604 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.4 pp -58.96 -31.94 69.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.06 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.604 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.6 t80 -78.85 -31.55 45.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.965 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.4 t -55.12 -41.39 71.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.49 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.608 ' O ' HG23 ' A' ' 79' ' ' THR . 78.7 m-70 -81.2 -23.23 38.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.727 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.815 HG23 HD11 ' A' ' 43' ' ' LEU . 86.0 m -77.69 -40.94 39.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -69.15 -32.28 71.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.258 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -25.63 32.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.17 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 75' ' ' HIS . 8.5 p -77.74 -42.93 32.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.945 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 43' ' ' LEU . 21.3 mt -55.53 -35.85 66.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.791 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.38 -41.21 96.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.579 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 45.9 mtm -57.96 -37.87 74.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.726 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.495 ' HB2' ' CE ' ' A' ' 109' ' ' MET . . . -61.65 -63.24 1.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.613 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.429 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -84.39 53.81 2.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.987 179.753 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -118.9 -48.24 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.461 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.489 ' O ' ' C ' ' A' ' 87' ' ' HIS . 7.4 mt-30 -64.0 -92.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.965 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.489 ' C ' ' O ' ' A' ' 86' ' ' GLN . 28.2 m80 . . . . . 0 N--CA 1.471 0.603 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.634 HD13 ' CE1' ' A' ' 103' ' ' HIS . 0.9 OUTLIER . . . . . 0 CA--C 1.528 0.122 0 CA-C-O 120.607 0.241 . . . . 0.0 110.568 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.649 ' O ' HD11 ' A' ' 36' ' ' LEU . 61.4 Cg_exo -51.85 -20.63 10.22 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.611 2.208 . . . . 0.0 113.046 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.634 ' CE1' HD13 ' A' ' 101' ' ' LEU . 8.3 p80 -98.56 -8.87 25.77 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.555 ' CG ' HD12 ' A' ' 101' ' ' LEU . 2.1 mt-10 -60.05 -28.24 67.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.929 0.395 . . . . 0.0 110.768 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.449 ' OD1' HG13 ' A' ' 106' ' ' VAL . 3.4 p30 -78.94 -52.04 8.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.358 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.476 HG23 ' N ' ' A' ' 107' ' ' ASP . 32.5 m -57.83 -45.07 87.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.728 0.299 . . . . 0.0 111.474 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.476 ' N ' HG23 ' A' ' 106' ' ' VAL . 0.3 OUTLIER -62.71 -44.22 96.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.933 0.397 . . . . 0.0 110.761 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.495 ' CG ' HG21 ' A' ' 79' ' ' THR . 1.9 t0 -74.44 -28.27 60.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.495 ' CE ' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -66.97 -60.32 2.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.883 0.373 . . . . 0.0 110.616 179.885 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.504 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -49.62 -34.87 19.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.686 179.69 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.0 m -61.24 -34.61 75.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.452 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.577 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -60.6 -40.39 91.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.718 179.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -63.23 -29.58 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.634 179.736 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 91.2 m -61.09 -38.02 84.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.145 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -84.64 -42.97 14.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.343 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.446 ' CZ3' ' N ' ' A' ' 48' ' ' GLY . 44.7 m95 -63.9 -51.66 63.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.423 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.6 m -54.33 -44.79 72.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.367 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -60.84 -32.87 72.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.363 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.5 ttt -68.41 -37.11 80.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.562 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -54.96 -41.71 71.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.596 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.0 -42.56 17.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.921 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.92 -59.9 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.56 HD21 ' HB ' ' A' ' 57' ' ' VAL . 6.3 tp -53.21 -42.58 66.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -58.74 -49.68 76.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -60.29 -51.41 69.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.23 -35.97 78.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.999 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 30.7 ttm -58.34 -27.8 64.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 132.14 32.98 0.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.621 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 24.2 mt . . . . . 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.34 . . . . 0.0 110.996 179.916 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.702 HG23 ' H ' ' A' ' 35' ' ' GLN . 12.0 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.09 -30.72 49.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.264 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -68.9 -33.63 74.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.702 ' H ' HG23 ' A' ' 32' ' ' THR . 17.9 tp60 -69.4 -42.32 75.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.814 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.439 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 4.4 mm? -52.92 -49.5 65.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.085 0.469 . . . . 0.0 110.104 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.447 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 2.5 pp -80.99 -16.81 52.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.03 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.41 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 36.7 t -66.88 -28.23 68.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.81 0.338 . . . . 0.0 110.721 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.748 HG11 HG13 ' A' ' 106' ' ' VAL . 6.1 m -90.93 -38.21 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.621 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -65.14 -26.21 68.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.897 0.379 . . . . 0.0 110.112 179.335 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -84.44 -34.66 23.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.497 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -79.8 -35.65 38.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 -179.862 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.85 HD13 HG23 ' A' ' 76' ' ' THR . 0.0 OUTLIER -72.3 -64.44 0.95 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.853 0.358 . . . . 0.0 110.891 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.04 -37.2 20.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.484 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -58.39 -47.88 82.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.597 ' CB ' HD11 ' A' ' 113' ' ' ILE . 0.3 OUTLIER -78.67 -27.85 45.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.998 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 48' ' ' GLY . . . -65.03 -163.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.508 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 33.97 102.51 0.01 OUTLIER Glycine 0 CA--C 1.522 0.528 0 CA-C-N 115.981 -0.554 . . . . 0.0 114.224 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.905 HD22 ' CZ3' ' A' ' 116' ' ' TRP . 2.2 mm? -50.5 163.47 0.46 Allowed Pre-proline 0 N--CA 1.463 0.214 0 O-C-N 122.842 -0.211 . . . . 0.0 110.599 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.458 ' HD2' HD12 ' A' ' 49' ' ' LEU . 41.8 Cg_endo -69.44 -87.23 0.0 OUTLIER 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.363 2.042 . . . . 0.0 112.537 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.18 -67.77 0.24 Allowed 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.831 0.348 . . . . 0.0 111.123 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -56.17 -37.92 70.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.108 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.428 ' O ' HG12 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -55.08 -25.72 33.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.671 ' HA ' HG12 ' A' ' 57' ' ' VAL . 26.8 t-80 -82.19 -40.81 21.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.874 0.369 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -56.93 -21.24 28.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.497 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -97.44 -50.29 4.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.739 0.304 . . . . 0.0 111.307 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.026 HG23 HD12 ' A' ' 65' ' ' LEU . 13.9 p -65.82 -9.96 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.6 t -122.18 -37.96 2.76 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.41 -9.73 40.6 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -130.64 -63.27 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.863 0.319 . . . . 0.0 111.863 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.479 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -41.62 151.17 0.32 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.12 -179.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.68 160.38 46.52 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.803 2.335 . . . . 0.0 112.549 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -46.12 -42.22 13.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.329 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.93 -35.13 63.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.985 0.422 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 1.026 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -82.53 -29.22 30.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.791 179.711 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -77.02 -53.08 8.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.51 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -59.73 -35.77 75.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.072 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -72.59 -28.37 62.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.799 0.333 . . . . 0.0 110.77 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.797 ' CE2' HD23 ' A' ' 49' ' ' LEU . 7.3 t80 -56.55 -59.99 4.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -71.34 -28.49 64.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.164 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -58.46 -64.19 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.017 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.812 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.2 pp -55.93 -29.86 60.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.812 ' N ' HD12 ' A' ' 72' ' ' LEU . 8.4 t80 -78.57 -35.7 45.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.4 m -49.15 -43.9 42.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.895 0.379 . . . . 0.0 110.43 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.796 ' O ' HG23 ' A' ' 79' ' ' THR . 2.1 t-160 -73.32 -33.65 65.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.101 179.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.85 HG23 HD13 ' A' ' 43' ' ' LEU . 99.8 m -66.58 -55.37 15.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.629 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.435 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 2.0 mt-30 -50.09 -36.28 28.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.236 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.35 -44.72 24.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 75' ' ' HIS . 41.1 p -55.45 -28.2 52.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.961 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' A' ' 40' ' ' ARG . 18.2 mt -75.2 -32.17 61.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.693 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -64.05 -48.4 76.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.576 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.2 mtp -61.11 -19.14 61.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.875 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.576 ' HB2' ' HE2' ' A' ' 109' ' ' MET . . . -95.31 23.87 5.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.523 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -142.58 22.74 1.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.695 0.283 . . . . 0.0 111.198 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.8 tpt -130.39 -34.4 1.6 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -53.05 -23.28 7.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.4 m80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 111.437 -179.562 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.602 HD13 ' HE1' ' A' ' 103' ' ' HIS . 3.6 mt . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.633 0.254 . . . . 0.0 110.759 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.93 -39.93 3.88 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.501 2.134 . . . . 0.0 112.731 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.602 ' HE1' HD13 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -78.52 -8.67 58.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.698 -179.683 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.486 ' HG2' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -44.24 -63.24 0.92 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.843 0.354 . . . . 0.0 111.219 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -59.58 -53.05 62.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.748 HG13 HG11 ' A' ' 39' ' ' VAL . 21.6 t -46.3 -61.3 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.588 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.41 -55.83 29.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.078 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.03 -21.29 44.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.361 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.576 ' HE2' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -67.17 -60.27 2.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.877 -179.833 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.515 ' O ' HG22 ' A' ' 113' ' ' ILE . 4.7 ptp85 -52.07 -25.49 8.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.8 t -65.87 -39.96 91.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.128 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.622 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -63.11 -43.28 98.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.662 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.597 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -62.54 -28.69 45.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.707 179.722 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 79.2 m -61.4 -39.23 89.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.069 0.462 . . . . 0.0 110.129 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -86.73 -38.92 16.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.515 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.905 ' CZ3' HD22 ' A' ' 49' ' ' LEU . 37.0 m95 -68.9 -45.88 69.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.015 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 54.6 m -62.21 -43.49 98.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.035 0.445 . . . . 0.0 110.189 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -61.76 -34.27 75.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.417 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.0 ttt -72.26 -36.33 69.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.697 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -51.69 -44.2 63.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.78 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -81.89 -39.65 23.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.01 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.27 -59.44 3.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.189 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.441 HD21 ' HB ' ' A' ' 57' ' ' VAL . 4.8 tp -52.48 -42.48 64.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.227 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.602 ' OE1' HD13 ' A' ' 129' ' ' ILE . 0.0 OUTLIER -60.66 -54.11 49.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.831 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 44.8 m170 -59.75 -45.46 92.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.022 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.88 84.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.266 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 10.2 ttm -58.51 -30.76 67.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 136.42 41.65 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.575 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.602 HD13 ' OE1' ' A' ' 124' ' ' GLN . 12.0 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.756 0.312 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.423 HG23 ' H ' ' A' ' 35' ' ' GLN . 1.5 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.787 0.327 . . . . 0.0 110.712 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.4 m -54.78 -26.37 34.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 82.3 p -70.74 -35.61 72.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.502 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 1.3 tm0? -69.54 -41.89 75.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.014 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.525 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 55.5 mt -52.91 -48.62 67.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.072 0.463 . . . . 0.0 110.385 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 pp -81.15 -22.38 39.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.832 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.502 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 5.7 m -59.69 -33.77 72.02 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.869 0.366 . . . . 0.0 110.492 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.449 ' HB ' ' HG2' ' A' ' 109' ' ' MET . 10.6 m -85.15 -41.78 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.348 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.668 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -59.49 -25.27 64.31 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.141 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.411 ' NE2' ' NH1' ' A' ' 40' ' ' ARG . 4.5 m-70 -78.97 -38.34 37.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.255 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.504 HE22 HD13 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -81.08 -31.08 34.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.993 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 1.094 HD13 HG23 ' A' ' 76' ' ' THR . 0.0 OUTLIER -71.67 -64.22 0.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.7 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.42 -37.71 49.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.422 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.84 -57.86 9.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.025 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.2 m -68.57 -28.71 67.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.581 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -67.48 74.36 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.203 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.98 140.36 2.85 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.726 HD13 ' HB3' ' A' ' 53' ' ' GLN . 38.9 mt -82.75 141.71 44.75 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.516 0.198 . . . . 0.0 110.765 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.405 ' HD2' ' HB2' ' A' ' 53' ' ' GLN . 43.9 Cg_exo -55.24 -76.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.285 1.99 . . . . 0.0 112.554 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.61 -72.29 0.2 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.771 0.319 . . . . 0.0 111.52 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.38 -37.04 79.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.422 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.726 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -52.0 -25.86 9.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.275 -179.728 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.597 ' HA ' HG12 ' A' ' 57' ' ' VAL . 22.5 t-80 -86.11 -39.18 17.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.877 0.37 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.31 -17.32 28.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.682 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -98.67 -47.58 5.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.722 0.296 . . . . 0.0 111.214 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.924 HG23 HD12 ' A' ' 65' ' ' LEU . 13.3 p -68.19 -9.93 11.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 93.7 p -123.8 -37.79 2.57 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.92 -9.81 47.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -134.16 -60.55 0.81 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.911 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.405 ' CB ' ' HA ' ' A' ' 57' ' ' VAL . . . -40.65 149.99 0.3 Allowed Pre-proline 0 N--CA 1.463 0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.084 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -73.86 160.33 43.58 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.801 2.334 . . . . 0.0 112.544 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -46.93 -41.87 16.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.231 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.1 p -55.01 -33.12 62.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.031 0.443 . . . . 0.0 110.599 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.924 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -81.11 -33.35 33.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.661 179.693 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -77.01 -53.06 8.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.548 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.7 p30 -58.09 -34.07 69.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.262 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -74.05 -26.96 60.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.845 0.355 . . . . 0.0 110.739 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -57.88 -59.73 4.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.0 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.66 -28.86 70.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.988 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.43 -67.18 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.02 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.828 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.5 pp -54.27 -39.76 67.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.017 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.828 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.2 t80 -68.9 -33.57 73.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.71 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.39 -37.01 55.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.097 0.475 . . . . 0.0 110.268 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.99 -26.81 48.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.569 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 1.094 HG23 HD13 ' A' ' 43' ' ' LEU . 61.9 m -75.51 -36.47 60.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.187 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.73 -25.4 59.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.447 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.14 -27.26 16.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.603 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 76' ' ' THR . 13.0 t -71.9 -46.89 56.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.345 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.782 HD21 ' HB3' ' A' ' 43' ' ' LEU . 4.8 mt -49.33 -35.26 17.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.851 0.358 . . . . 0.0 110.932 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -55.93 -32.81 64.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.604 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 46.0 mtm -71.01 -24.98 62.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.762 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.835 ' HB2' ' CE ' ' A' ' 109' ' ' MET . . . -76.33 -37.88 56.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.505 ' HA ' ' HE1' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -94.79 46.14 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.91 -63.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.036 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.413 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -34.72 -62.35 0.36 Allowed 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -178.824 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.505 ' HE1' ' HA ' ' A' ' 84' ' ' ASP . 1.7 p80 . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.861 0.362 . . . . 0.0 111.144 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.583 HD13 ' HE1' ' A' ' 103' ' ' HIS . 15.0 mt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.737 0.303 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.34 -36.28 2.44 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.65 2.234 . . . . 0.0 112.72 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.583 ' HE1' HD13 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -87.96 -8.97 54.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.633 -179.671 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.579 ' CG ' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -57.27 -50.48 72.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.968 0.414 . . . . 0.0 110.74 179.823 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -63.37 -37.84 88.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.798 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 26.5 t -68.53 -57.67 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.159 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.55 -49.27 75.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.032 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.07 -24.71 67.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.835 ' CE ' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -68.65 -61.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.826 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.508 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -57.18 -21.39 32.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.976 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.86 -38.13 79.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.925 0.393 . . . . 0.0 110.489 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.737 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -65.15 -45.92 83.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.7 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.6 OUTLIER -62.4 -25.58 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.696 179.61 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 68.9 m -63.03 -38.98 93.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.022 0.439 . . . . 0.0 109.898 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -83.09 -40.07 20.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.253 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.451 ' CD1' HD13 ' A' ' 72' ' ' LEU . 48.8 m95 -67.14 -48.69 67.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.568 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.2 t -54.21 -46.32 72.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.556 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -58.38 -31.8 67.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.385 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.2 ttt -72.86 -31.78 64.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.522 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -55.83 -43.28 76.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.613 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -85.86 -33.86 21.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.884 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.62 -57.83 4.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.689 HD21 ' HB ' ' A' ' 57' ' ' VAL . 5.6 tp -57.5 -45.25 85.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.007 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -58.23 -48.86 79.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.025 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -65.87 -42.22 90.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.1 -38.05 81.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 21.7 ttm -57.4 -51.08 70.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 159.91 39.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.441 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 42.1 mt . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 111.051 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.649 HG23 ' H ' ' A' ' 35' ' ' GLN . 8.5 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.792 0.33 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.8 p -60.33 -37.53 80.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.621 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.9 m -65.83 -30.64 71.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.544 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.649 ' H ' HG23 ' A' ' 32' ' ' THR . 0.7 OUTLIER -77.19 -34.6 56.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.74 179.811 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.767 HD21 ' HB2' ' A' ' 102' ' ' PRO . 1.9 mm? -52.84 -49.14 66.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.132 0.491 . . . . 0.0 109.944 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 pp -79.17 -26.84 42.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.282 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 t -59.61 -32.71 70.66 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.997 0.427 . . . . 0.0 110.432 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.74 HG21 HG12 ' A' ' 106' ' ' VAL . 24.9 t -78.03 -51.47 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.739 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.563 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -59.05 -22.8 61.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.816 0.341 . . . . 0.0 110.264 179.39 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.422 ' CD2' ' NH1' ' A' ' 40' ' ' ARG . 1.9 m-70 -77.55 -33.31 54.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.718 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 1.2 pt20 -81.83 -29.56 32.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.879 HD12 ' HG3' ' A' ' 109' ' ' MET . 0.0 OUTLIER -77.8 -59.68 2.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 -179.81 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.66 -36.55 62.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.367 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.88 -48.49 81.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.9 m -77.9 -26.74 49.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.073 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.47 ' O ' ' O ' ' A' ' 48' ' ' GLY . . . -69.11 -163.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.137 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.528 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 34.16 107.49 0.0 OUTLIER Glycine 0 CA--C 1.522 0.513 0 CA-C-N 115.827 -0.624 . . . . 0.0 114.465 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.701 HD23 ' CE2' ' A' ' 69' ' ' TYR . 2.7 mm? -53.19 150.07 11.9 Favored Pre-proline 0 N--CA 1.462 0.15 0 CA-C-O 120.652 0.263 . . . . 0.0 110.972 179.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.39 -81.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.469 2.113 . . . . 0.0 112.184 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.28 -69.91 0.22 Allowed 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.792 0.33 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.34 -30.06 68.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.233 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.453 ' O ' HG12 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -55.22 -27.34 45.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.265 -179.871 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.599 ' HA ' HG12 ' A' ' 57' ' ' VAL . 30.7 t-80 -89.57 -28.5 19.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.173 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -64.61 -20.77 66.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.523 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.426 ' CD2' ' HG3' ' A' ' 127' ' ' MET . 0.0 OUTLIER -99.6 -49.91 4.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.727 0.299 . . . . 0.0 111.12 -179.634 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.911 HG23 HD12 ' A' ' 65' ' ' LEU . 14.4 p -66.42 -9.88 9.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.6 t -121.01 -39.88 2.67 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.01 -9.91 46.87 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.16 0.429 . . . . 0.0 112.16 -179.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -129.27 -59.15 1.11 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.716 0.293 . . . . 0.0 111.5 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.402 ' CB ' ' HA ' ' A' ' 57' ' ' VAL . . . -46.52 150.04 1.28 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.649 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.77 160.26 46.63 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -48.75 -36.11 15.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.135 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.1 m -59.32 -38.23 79.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.717 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.911 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -72.74 -34.94 67.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.683 179.755 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -73.41 -32.93 64.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.814 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -60.38 -46.64 89.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.707 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -73.72 -29.09 62.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.701 ' CE2' HD23 ' A' ' 49' ' ' LEU . 10.0 t80 -51.2 -58.09 7.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -75.54 -28.46 59.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.223 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.87 -65.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.088 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.856 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.5 pp -54.12 -37.75 64.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.069 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.856 ' N ' HD12 ' A' ' 72' ' ' LEU . 9.7 t80 -70.38 -31.36 68.57 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.644 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.42 -46.86 63.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.913 0.387 . . . . 0.0 110.282 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.26 -23.99 61.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.365 179.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.725 HG23 HD13 ' A' ' 43' ' ' LEU . 91.6 m -77.75 -53.99 6.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -59.59 -24.35 63.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.574 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.42 -38.36 12.04 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 76' ' ' THR . 12.4 t -63.24 -41.06 99.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.736 0.303 . . . . 0.0 111.04 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.788 HD21 ' HB3' ' A' ' 43' ' ' LEU . 31.4 mt -56.89 -39.92 75.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.921 0.391 . . . . 0.0 110.797 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -45.66 91.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.75 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 50.4 mtm -58.45 -31.62 67.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.688 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.467 ' CB ' ' HE3' ' A' ' 109' ' ' MET . . . -69.28 -56.43 7.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.793 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.446 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 19.0 t70 -84.64 55.14 3.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.742 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.24 -47.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -25.99 25.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.571 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.446 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 11.8 m80 . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 120.93 0.395 . . . . 0.0 110.93 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.437 ' HB2' ' CE1' ' A' ' 103' ' ' HIS . 44.3 mt . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 120.677 0.275 . . . . 0.0 110.727 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.767 ' HB2' HD21 ' A' ' 36' ' ' LEU . 19.5 Cg_endo -61.46 -9.94 14.72 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.746 2.298 . . . . 0.0 113.639 -179.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.443 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -91.64 -8.75 46.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.664 0.269 . . . . 0.0 111.437 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.62 -29.81 65.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.904 0.383 . . . . 0.0 110.592 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -79.11 -49.38 12.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.124 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.74 HG12 HG21 ' A' ' 39' ' ' VAL . 36.0 m -52.81 -45.36 50.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.226 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.478 ' N ' HG23 ' A' ' 106' ' ' VAL . 2.9 m-20 -64.08 -49.8 70.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.515 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.73 -24.07 66.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.965 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.879 ' HG3' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -72.21 -53.48 12.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.62 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.475 ' O ' HG22 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -53.92 -25.85 22.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.49 179.497 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -71.08 -38.27 72.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.425 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.698 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -60.54 -46.27 90.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.625 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -61.24 -27.81 42.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.807 179.711 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 25.9 m -59.98 -43.02 95.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.982 0.42 . . . . 0.0 110.252 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.6 -37.14 18.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.602 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.528 ' CH2' ' N ' ' A' ' 48' ' ' GLY . 35.5 m95 -68.44 -43.12 77.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.845 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 67.5 m -62.18 -45.45 93.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.125 0.488 . . . . 0.0 109.757 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -62.7 -39.39 93.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.278 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.416 ' HG2' HD22 ' A' ' 123' ' ' LEU . 3.1 ttt -65.85 -37.1 85.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.547 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.32 -43.92 64.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.729 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -81.42 -33.96 31.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.949 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.49 -60.86 2.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.313 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.416 HD22 ' HG2' ' A' ' 119' ' ' MET . 1.1 tp -51.0 -45.56 61.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.05 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -58.58 -48.9 79.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -60.86 -53.29 59.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.212 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . . . -58.95 -36.79 75.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.397 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.426 ' HG3' ' CD2' ' A' ' 56' ' ' PHE . 9.9 ttm -55.47 -43.51 75.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 154.81 41.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 22.3 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 111.045 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.685 HG23 ' HB2' ' A' ' 35' ' ' GLN . 1.1 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.886 0.374 . . . . 0.0 111.297 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -37.73 53.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.199 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 38' ' ' SER . 5.3 m -61.4 -43.46 98.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.518 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.685 ' HB2' HG23 ' A' ' 32' ' ' THR . 0.2 OUTLIER -67.81 -41.37 83.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.628 179.74 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 36' ' ' LEU . 1.9 mm? -53.65 -48.9 68.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.067 0.46 . . . . 0.0 109.933 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.492 ' C ' HD12 ' A' ' 37' ' ' LEU . 2.0 pp -81.11 -17.03 51.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.185 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.545 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 0.3 OUTLIER -70.96 -24.29 62.39 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.742 179.714 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.669 HG12 ' HG2' ' A' ' 109' ' ' MET . 3.1 t -89.66 -43.02 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.536 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.536 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -63.07 -27.37 69.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.348 179.639 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -79.08 -38.63 35.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.489 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -79.78 -31.5 40.84 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.233 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.85 HD13 HG23 ' A' ' 76' ' ' THR . 0.1 OUTLIER -74.36 -60.99 2.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.018 -179.649 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.8 -41.8 45.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.303 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.38 -47.49 85.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.663 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.428 ' CB ' HD11 ' A' ' 113' ' ' ILE . 0.3 OUTLIER -74.27 -26.26 60.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.955 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.508 ' HB2' HG21 ' A' ' 76' ' ' THR . . . -69.03 69.39 0.19 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.068 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.46 144.88 5.8 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.612 HD11 HG11 ' A' ' 57' ' ' VAL . 71.5 mt -82.46 144.71 50.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.602 0.239 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -54.65 -76.45 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.451 2.101 . . . . 0.0 112.656 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.36 -80.99 0.13 Allowed 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -60.84 -30.09 69.89 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.803 0.335 . . . . 0.0 111.304 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -50.09 -34.88 23.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.061 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.45 ' HA ' HG12 ' A' ' 57' ' ' VAL . 28.4 t-80 -76.14 -45.33 34.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.218 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -55.45 -21.25 15.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.474 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.42 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 1.9 t80 -91.65 -54.45 3.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 111.121 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.047 HG23 HD12 ' A' ' 65' ' ' LEU . 13.3 p -67.92 -9.9 11.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -179.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 t -122.0 -34.8 3.28 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.13 -9.77 20.23 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -123.02 -68.28 0.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.765 0.317 . . . . 0.0 111.644 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.442 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -43.01 149.89 0.48 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.855 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.65 160.26 41.39 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.746 2.297 . . . . 0.0 112.331 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -46.58 -29.95 2.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.2 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 p -61.7 -47.06 87.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.659 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 1.047 HD12 HG23 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -64.09 -31.08 72.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.629 179.694 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -73.79 -32.96 64.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.697 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -56.91 -48.17 78.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.796 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -69.93 -34.87 74.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.555 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -60.05 -48.18 82.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.645 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -75.28 -31.74 60.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.785 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -59.44 -58.52 8.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.773 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.789 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -58.61 -38.33 77.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.764 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.789 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.0 t80 -72.04 -29.59 64.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.07 -39.43 72.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.998 0.428 . . . . 0.0 110.239 179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -78.01 -24.71 47.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.617 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.85 HG23 HD13 ' A' ' 43' ' ' LEU . 31.0 m -76.83 -40.12 48.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -70.49 -25.36 63.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.174 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.34 -39.51 10.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.368 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.577 HG22 ' HA ' ' A' ' 76' ' ' THR . 14.7 t -61.02 -38.29 85.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.768 0.318 . . . . 0.0 110.931 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.536 HD23 ' HA ' ' A' ' 40' ' ' ARG . 42.0 mt -59.84 -34.93 73.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.79 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.23 -49.77 74.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.781 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 76.1 mtm -55.25 -24.16 26.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.989 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.677 ' HB2' ' HE1' ' A' ' 109' ' ' MET . . . -77.3 -46.91 21.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.991 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.456 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 0.7 OUTLIER -85.08 47.83 1.47 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.185 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -130.38 -47.95 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -51.99 -31.26 28.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.921 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.456 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 4.5 m80 . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.893 0.378 . . . . 0.0 110.951 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.618 0.247 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.34 -47.43 4.39 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.54 2.16 . . . . 0.0 112.59 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.593 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -84.82 -8.63 58.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.608 -179.655 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.47 -37.56 12.02 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.803 0.335 . . . . 0.0 111.356 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.58 ' OD1' HG13 ' A' ' 106' ' ' VAL . 4.3 p30 -79.12 -58.91 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.437 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.593 HG22 ' HA ' ' A' ' 103' ' ' HIS . 29.4 m -52.86 -45.81 51.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.708 0.29 . . . . 0.0 111.557 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.487 ' N ' HG23 ' A' ' 106' ' ' VAL . 0.9 OUTLIER -60.95 -57.1 14.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.382 . . . . 0.0 110.757 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -63.29 -21.35 66.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.677 ' HE1' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -64.56 -62.66 1.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.845 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.477 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -53.01 -25.89 13.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.719 179.745 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -66.94 -37.44 84.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.554 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.618 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -62.39 -43.32 99.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.853 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.477 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.2 OUTLIER -63.63 -30.23 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.748 179.826 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 90.3 m -60.14 -35.24 74.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.31 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -86.87 -41.87 13.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.547 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.46 ' CD1' HD13 ' A' ' 72' ' ' LEU . 49.0 m95 -66.35 -50.77 62.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.517 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.8 t -56.65 -49.56 74.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.36 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.68 -33.18 71.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.339 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.6 ttt -69.24 -35.45 76.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.601 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -54.4 -44.65 72.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.585 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -81.92 -38.18 25.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.912 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.01 -60.22 2.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.273 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.697 HD21 ' HB ' ' A' ' 57' ' ' VAL . 4.6 tp -52.9 -39.66 62.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.85 -44.5 90.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -67.32 -44.61 78.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.33 -31.42 72.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.97 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 9.9 ttm -62.51 -45.94 90.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 151.14 44.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 26.3 mt . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.327 . . . . 0.0 111.132 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.664 HG23 ' H ' ' A' ' 35' ' ' GLN . 9.0 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.848 0.356 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.2 m -60.1 -37.16 79.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.732 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -33.93 76.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.734 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.664 ' H ' HG23 ' A' ' 32' ' ' THR . 0.5 OUTLIER -70.33 -38.24 74.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.933 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 83' ' ' ALA . 4.1 mm? -52.72 -50.6 63.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.106 0.479 . . . . 0.0 110.15 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 pp -81.33 -23.07 38.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.295 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.607 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 0.3 OUTLIER -61.49 -45.26 94.98 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.825 0.345 . . . . 0.0 110.656 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.2 t -72.78 -37.62 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.728 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.513 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -66.38 -25.34 66.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.241 179.539 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -73.95 -35.08 64.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.367 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 5.1 pt20 -80.78 -32.14 35.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.712 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.862 ' HB3' HD21 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -77.44 -65.79 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.809 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 1.047 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -46.75 -45.52 19.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.592 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -55.77 -46.66 77.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.863 0.363 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -73.83 -24.71 59.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.622 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -73.61 63.47 0.83 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.462 ' N ' ' CZ3' ' A' ' 116' ' ' TRP . . . -178.93 113.04 0.39 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.561 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.553 HD22 ' HZ3' ' A' ' 116' ' ' TRP . 3.7 mm? -59.54 148.74 73.25 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.605 0.241 . . . . 0.0 110.496 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -62.06 -85.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.453 2.102 . . . . 0.0 112.459 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -148.25 -77.17 0.16 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.785 0.326 . . . . 0.0 111.14 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -53.15 -34.92 58.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.259 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.481 ' HB3' HD12 ' A' ' 49' ' ' LEU . 2.7 mp0 -58.13 -35.21 71.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.969 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.584 ' HA ' HG12 ' A' ' 57' ' ' VAL . 30.9 t-80 -79.36 -35.86 40.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.91 -20.33 50.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.71 -59.0 1.86 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.839 0.352 . . . . 0.0 111.0 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.985 HG23 HD12 ' A' ' 65' ' ' LEU . 15.0 p -56.93 -16.13 3.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -179.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 t -115.73 -39.89 3.44 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.99 -9.89 29.94 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -123.63 -65.71 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.702 0.287 . . . . 0.0 111.485 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.76 150.09 0.74 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.811 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.68 160.19 48.83 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.792 2.328 . . . . 0.0 112.385 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -49.48 -34.2 16.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.173 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -47.05 84.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.963 0.411 . . . . 0.0 110.68 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.985 HD12 HG23 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -62.92 -34.91 78.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.462 179.613 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -72.39 -32.89 66.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.692 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -55.34 -44.44 75.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -74.05 -28.22 61.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.496 ' CE2' HD23 ' A' ' 49' ' ' LEU . 8.2 t80 -56.56 -50.15 72.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.78 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -76.73 -34.36 58.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -56.56 -62.66 1.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.761 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.4 pp -54.23 -37.17 64.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.81 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.761 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.7 t80 -72.83 -31.32 64.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.81 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.7 m -51.84 -41.11 61.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.04 0.447 . . . . 0.0 110.285 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -77.9 -26.74 49.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.521 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.827 HG23 ' CD1' ' A' ' 43' ' ' LEU . 76.9 m -73.8 -37.95 64.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.022 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -74.15 -25.1 59.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.369 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.12 -31.09 13.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.462 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.526 HG22 ' HA ' ' A' ' 76' ' ' THR . 15.3 t -66.82 -47.64 71.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.737 0.303 . . . . 0.0 111.032 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 1.047 HD13 ' HB2' ' A' ' 44' ' ' ALA . 32.8 mt -61.79 -38.93 89.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.14 -50.23 71.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.1 mtp -57.98 -26.8 62.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.048 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.557 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -80.05 -26.27 39.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.329 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.519 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 9.4 t70 -95.42 39.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.11 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.5 mtt -130.72 -48.08 1.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.708 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -36.65 -56.47 0.82 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.213 -179.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.519 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 1.2 p80 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.407 HD13 ' HE1' ' A' ' 103' ' ' HIS . 6.1 mt . . . . . 0 CA--C 1.529 0.152 0 CA-C-O 120.582 0.229 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -61.59 -17.28 53.34 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.58 2.187 . . . . 0.0 112.795 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.41 ' O ' HG22 ' A' ' 106' ' ' VAL . 20.8 p-80 -96.16 -8.8 32.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.625 0.25 . . . . 0.0 111.529 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.26 -29.46 69.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.466 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 8.0 p30 -79.17 -48.75 13.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.225 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 107' ' ' ASP . 30.4 m -56.85 -41.25 75.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.261 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 106' ' ' VAL . 5.0 t0 -66.09 -45.36 81.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.645 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.78 -25.11 64.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.794 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.467 ' CG ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -65.11 -52.55 54.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.595 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.0 mtm-85 -57.62 -30.91 65.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.677 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 t -60.55 -38.68 85.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.691 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.622 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -61.09 -40.93 95.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -60.74 -34.86 60.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 11.9 p -57.12 -52.14 66.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.093 0.473 . . . . 0.0 110.209 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -73.86 -46.2 46.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.737 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.553 ' HZ3' HD22 ' A' ' 49' ' ' LEU . 34.1 m95 -59.63 -54.7 43.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.2 t -53.96 -45.09 71.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.967 0.413 . . . . 0.0 110.592 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -61.24 -37.85 84.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.604 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.3 ttt -65.07 -38.96 92.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.672 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -52.15 -44.07 64.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.833 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -83.07 -34.01 26.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.86 -60.18 2.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.251 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.58 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.2 tp -54.01 -42.89 69.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -63.91 -36.85 85.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.803 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -73.64 -41.37 62.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.809 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.84 -35.51 77.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.0 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 16.5 ttm -59.96 -50.46 73.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 159.99 41.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.462 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 19.4 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.791 0.329 . . . . 0.0 111.165 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.775 HG23 ' H ' ' A' ' 35' ' ' GLN . 15.3 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.869 0.366 . . . . 0.0 110.664 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.0 p -47.54 -28.89 2.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.446 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.447 ' O ' ' HB3' ' A' ' 38' ' ' SER . 50.2 m -69.21 -38.49 78.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.775 ' H ' HG23 ' A' ' 32' ' ' THR . 37.5 tp60 -70.7 -43.93 68.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.069 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.515 HD11 ' HG2' ' A' ' 86' ' ' GLN . 75.8 mt -52.92 -46.36 68.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.045 0.45 . . . . 0.0 110.371 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.492 ' C ' HD12 ' A' ' 37' ' ' LEU . 2.2 pp -81.3 -15.63 54.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.315 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.447 ' HB3' ' O ' ' A' ' 34' ' ' SER . 25.1 p -73.68 -25.85 60.45 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.735 0.302 . . . . 0.0 110.93 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.691 HG21 HG13 ' A' ' 106' ' ' VAL . 42.0 t -89.17 -37.43 9.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.789 0.328 . . . . 0.0 110.717 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.513 ' HB3' ' HE1' ' A' ' 109' ' ' MET . 0.0 OUTLIER -69.07 -31.27 69.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.01 179.316 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -71.41 -39.76 70.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.126 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.9 -27.51 39.95 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.927 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.84 HD11 HG23 ' A' ' 76' ' ' THR . 2.0 tm? -83.08 -57.58 3.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.011 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.572 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -52.09 -48.26 64.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.341 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -58.21 -49.85 75.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.1 -28.58 68.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.033 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.13 72.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.412 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 162.93 125.15 0.75 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.585 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.587 ' CD1' HG11 ' A' ' 57' ' ' VAL . 23.4 mt -70.83 150.51 95.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.532 0.206 . . . . 0.0 110.713 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -62.31 -78.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.443 2.095 . . . . 0.0 112.513 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -148.64 -68.81 0.22 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.832 0.349 . . . . 0.0 111.499 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.14 -42.93 73.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.332 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.525 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -56.32 -46.61 79.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.975 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.525 ' HA ' HG12 ' A' ' 57' ' ' VAL . 25.1 t-80 -67.01 -45.38 77.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.23 -23.91 9.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.285 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.407 ' HA ' ' HB2' ' A' ' 60' ' ' GLN . 2.4 t80 -90.57 -54.48 3.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.955 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.791 HG23 HD12 ' A' ' 65' ' ' LEU . 10.7 p -68.52 -9.7 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -179.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.437 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 16.2 t -120.89 -31.45 4.2 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.23 -9.78 16.01 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.407 ' HB2' ' HA ' ' A' ' 56' ' ' PHE . 65.8 mt-30 -122.34 -66.67 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.738 0.304 . . . . 0.0 111.712 -179.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.437 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -41.61 150.01 0.36 Allowed Pre-proline 0 CA--C 1.53 0.185 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.933 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.01 160.25 50.69 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.779 2.319 . . . . 0.0 112.5 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -47.78 -39.93 19.47 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.179 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.4 t -57.14 -44.2 83.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.682 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.791 HD12 HG23 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -66.09 -33.09 75.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.466 179.634 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -74.65 -32.93 62.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.694 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -56.26 -45.36 80.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -72.35 -28.05 62.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -60.19 -55.65 31.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -74.12 -31.1 62.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.007 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -60.0 -56.49 21.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.821 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.4 pp -59.89 -32.62 70.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.941 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.821 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.2 t80 -77.14 -33.8 56.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.842 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.5 -35.26 62.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.027 0.441 . . . . 0.0 110.444 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.568 ' O ' HG23 ' A' ' 79' ' ' THR . 16.4 m80 -83.64 -25.7 30.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.674 179.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.84 HG23 HD11 ' A' ' 43' ' ' LEU . 86.7 m -73.81 -40.99 62.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.07 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -38.14 76.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.288 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.16 -25.47 55.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.26 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 75' ' ' HIS . 11.4 p -79.76 -48.02 14.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.238 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.572 HD22 ' HB2' ' A' ' 44' ' ' ALA . 15.6 mt -53.18 -30.78 39.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 110.83 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -61.87 -33.73 74.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.452 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 59.9 mtm -67.28 -31.62 72.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.593 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.638 ' HB2' ' SD ' ' A' ' 109' ' ' MET . . . -71.29 -30.08 65.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.822 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -92.23 44.73 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.483 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 86' ' ' GLN . 2.0 tmt? -130.46 -67.33 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.452 -179.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.515 ' HG2' HD11 ' A' ' 36' ' ' LEU . 53.2 tp60 -27.72 -45.39 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.007 0.432 . . . . 0.0 110.867 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.406 ' HB3' ' HD2' ' A' ' 102' ' ' PRO . 20.2 mt . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 120.706 0.289 . . . . 0.0 110.718 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 101' ' ' LEU . 64.8 Cg_endo -73.82 -38.17 2.49 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.568 2.179 . . . . 0.0 113.119 -179.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.4 ' HE1' HD13 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -85.7 -8.8 57.97 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.219 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.406 ' CG ' ' HB2' ' A' ' 101' ' ' LEU . 1.3 mm-40 -48.76 -66.42 0.4 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.965 0.412 . . . . 0.0 111.199 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.483 ' OD1' HD22 ' A' ' 36' ' ' LEU . 3.4 p30 -51.43 -47.53 62.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.433 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.691 HG13 HG21 ' A' ' 39' ' ' VAL . 33.9 t -55.58 -69.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.618 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -51.43 -35.61 40.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.268 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -73.41 -36.76 66.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.033 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.638 ' SD ' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -65.64 -57.49 8.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.771 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.603 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -49.68 -32.04 12.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.818 179.778 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -41.66 97.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.484 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.602 ' HB1' ' OG1' ' A' ' 76' ' ' THR . . . -55.97 -39.17 71.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.069 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.603 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.2 OUTLIER -65.19 -29.38 47.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.847 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 89.0 m -59.73 -36.84 77.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.069 0.462 . . . . 0.0 110.096 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -83.71 -42.69 16.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.481 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.412 ' CH2' ' HA2' ' A' ' 48' ' ' GLY . 50.9 m95 -65.54 -51.33 60.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.799 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.5 m -54.0 -46.59 71.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.605 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -60.92 -22.5 64.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.7 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.656 ' HG2' HD22 ' A' ' 123' ' ' LEU . 1.8 ttt -75.47 -54.0 7.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -48.69 -29.65 4.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.141 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.36 -44.63 14.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.902 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.52 -52.76 16.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.038 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.773 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -54.95 -41.76 71.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.816 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -57.78 -47.45 82.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.765 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -70.95 -37.42 72.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.777 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.18 -37.36 80.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 6.1 ttm -58.92 -40.88 85.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 144.62 46.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.442 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 32.3 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 111.112 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.503 HG23 ' HB2' ' A' ' 35' ' ' GLN . 1.7 t . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 120.865 0.364 . . . . 0.0 111.473 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 91.6 p -65.35 -32.18 73.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.658 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.5 -30.95 69.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.363 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.65 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -81.87 -31.92 31.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.554 179.649 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' ' 32' ' ' THR . 2.0 mm? -52.8 -48.47 66.89 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.229 0.538 . . . . 0.0 109.72 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.405 HD12 ' HD2' ' A' ' 41' ' ' HIS . 3.9 pp -76.05 -26.64 56.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.014 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.1 t -60.58 -33.52 72.84 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.318 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.81 HG12 ' HG2' ' A' ' 109' ' ' MET . 1.6 t -74.66 -47.77 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.387 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.629 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -60.63 -26.18 66.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.328 179.4 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.405 ' HD2' HD12 ' A' ' 37' ' ' LEU . 17.9 m-70 -70.55 -37.36 74.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.037 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.454 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -71.33 -31.02 66.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.211 -179.7 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 1.03 HD13 HG23 ' A' ' 76' ' ' THR . 0.3 OUTLIER -84.45 -56.27 3.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.773 0.32 . . . . 0.0 110.6 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.53 -30.15 1.37 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.576 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -78.69 -63.16 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.068 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.9 t -59.24 -41.17 88.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.036 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.829 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -64.89 80.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.02 149.29 11.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.523 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.625 HD13 ' HD2' ' A' ' 50' ' ' PRO . 1.7 mm? -105.03 126.93 29.77 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.547 0.213 . . . . 0.0 110.743 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.625 ' HD2' HD13 ' A' ' 49' ' ' LEU . 31.6 Cg_endo -64.03 -85.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.378 2.052 . . . . 0.0 112.43 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.22 -77.08 0.16 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.695 0.283 . . . . 0.0 111.283 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -58.44 -35.97 72.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.214 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.564 ' O ' HG12 ' A' ' 57' ' ' VAL . 80.9 mt-30 -56.34 -30.66 62.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.062 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.515 ' HA ' HG12 ' A' ' 57' ' ' VAL . 28.9 t-80 -89.86 -37.52 14.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -57.2 -21.52 34.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.293 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -96.15 -59.59 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 0.0 111.034 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.993 HG23 HD12 ' A' ' 65' ' ' LEU . 12.8 p -59.86 -13.8 5.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.445 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 31.0 t -118.77 -32.4 4.54 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.4 -9.86 17.3 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -178.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -123.52 -65.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.756 0.313 . . . . 0.0 111.677 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.525 ' HB1' ' CB ' ' A' ' 65' ' ' LEU . . . -41.51 150.33 0.34 Allowed Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.974 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.28 160.41 49.95 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.861 2.374 . . . . 0.0 112.38 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -45.4 -41.16 8.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.277 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -33.03 64.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.045 0.45 . . . . 0.0 110.69 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.993 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -82.96 -31.29 27.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.591 179.71 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -77.19 -51.33 11.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.413 -179.769 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -60.35 -35.26 75.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.651 0.262 . . . . 0.0 110.891 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.403 ' HD3' HD22 ' A' ' 65' ' ' LEU . 1.1 ptt85 -74.08 -30.5 62.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.887 0.375 . . . . 0.0 110.638 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.4 ' HB3' ' O ' ' A' ' 66' ' ' ARG . 7.3 t80 -55.51 -44.95 77.07 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.728 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.54 -25.13 56.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.002 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -59.74 -62.45 1.87 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.896 0.379 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.797 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.4 pp -57.17 -36.68 71.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.797 ' N ' HD12 ' A' ' 72' ' ' LEU . 2.9 t80 -72.83 -34.13 66.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.6 m -53.54 -34.39 58.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.006 0.431 . . . . 0.0 110.23 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -77.7 -31.82 52.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.388 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 1.03 HG23 HD13 ' A' ' 43' ' ' LEU . 40.5 m -73.22 -37.2 66.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.193 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -74.92 -22.54 58.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.541 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.49 -30.35 12.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.644 0.259 . . . . 0.0 111.424 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.559 HG22 ' HA ' ' A' ' 76' ' ' THR . 15.2 t -67.95 -46.25 71.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 111.087 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' A' ' 40' ' ' ARG . 9.7 mt -56.44 -42.6 78.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -54.61 -51.84 64.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.03 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 56.5 mtm -59.18 -27.86 66.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.966 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.65 -42.78 70.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.975 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.405 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 1.1 t0 -91.34 48.96 1.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.19 -43.51 1.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.285 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -50.48 -27.85 7.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.94 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.405 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 7.4 m80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 111.009 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.634 HD13 ' CE1' ' A' ' 103' ' ' HIS . 1.3 mt . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.632 0.253 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.76 -24.05 22.31 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.64 2.227 . . . . 0.0 112.739 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.634 ' CE1' HD13 ' A' ' 101' ' ' LEU . 3.7 p-80 -78.55 -22.09 47.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.389 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -53.82 -54.64 35.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.82 0.343 . . . . 0.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -59.96 -30.06 68.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.803 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.465 ' HA ' HG11 ' A' ' 39' ' ' VAL . 39.0 t -67.28 -57.67 9.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.962 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -58.39 -33.99 70.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.23 -28.41 59.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.81 ' HG2' HG12 ' A' ' 39' ' ' VAL . 4.5 tpp -59.12 -58.19 9.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.008 0.432 . . . . 0.0 110.687 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.531 ' O ' HG23 ' A' ' 114' ' ' THR . 0.0 OUTLIER -64.23 -23.8 67.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.632 179.552 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.1 t -60.69 -40.88 93.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.063 0.459 . . . . 0.0 110.468 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.603 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -66.64 -35.92 81.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.564 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.7 OUTLIER -63.5 -33.8 63.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.563 179.601 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 110' ' ' ARG . 13.8 p -58.84 -51.66 69.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.106 0.479 . . . . 0.0 109.78 179.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -70.62 -48.29 55.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.364 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.615 ' CD1' HD13 ' A' ' 72' ' ' LEU . 26.2 m95 -58.64 -57.13 14.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.841 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.9 p -52.96 -45.66 67.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.048 0.451 . . . . 0.0 110.473 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.22 -32.22 72.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.418 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.519 ' SD ' HD21 ' A' ' 72' ' ' LEU . 4.8 ttt -70.85 -38.62 73.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.65 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -52.9 -41.1 64.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.779 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -81.26 -33.95 32.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.998 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.96 -59.33 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.329 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.514 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -51.56 -43.52 62.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 -179.814 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -59.49 -49.61 77.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.841 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.33 -34.99 79.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.37 -42.73 58.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 14.0 ttm -52.88 -31.71 41.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.065 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 135.37 43.52 0.11 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.6 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 23.1 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 111.155 179.901 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.2 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.84 0.352 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.5 m -63.46 -39.23 93.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.497 179.536 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.48 -30.63 71.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.238 179.447 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.403 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -69.52 -39.27 77.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.457 179.571 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.433 HD11 ' O ' ' A' ' 102' ' ' PRO . 3.5 mm? -52.97 -49.99 65.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.053 179.314 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.528 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 3.0 pp -81.15 -16.3 53.36 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.791 179.24 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.403 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 34.8 t -69.41 -27.5 65.33 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.848 0.356 . . . . 0.0 110.687 179.533 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.512 HG12 ' HG2' ' A' ' 109' ' ' MET . 24.5 t -89.18 -35.82 8.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.022 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.541 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -67.36 -25.43 65.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 110.493 179.636 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.492 ' HD2' HD12 ' A' ' 37' ' ' LEU . 39.1 m-70 -81.0 -41.39 22.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.643 179.678 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -73.19 -35.94 66.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.111 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.82 ' CD1' HG23 ' A' ' 76' ' ' THR . 0.3 OUTLIER -74.17 -55.72 5.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.836 -179.779 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.449 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -53.36 -34.52 57.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.037 179.81 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -61.91 -42.67 99.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.721 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.8 m -94.2 13.41 23.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.389 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.557 ' HB1' ' HE1' ' A' ' 73' ' ' TYR . . . -108.66 72.75 0.84 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.884 0.373 . . . . 0.0 111.099 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.415 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 162.92 115.37 0.34 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.602 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 53' ' ' GLN . 91.9 mt -64.35 141.03 98.1 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.487 0.184 . . . . 0.0 110.696 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 31.5 Cg_exo -57.5 -76.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.409 2.073 . . . . 0.0 112.677 -179.578 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -148.54 -70.66 0.21 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.861 0.362 . . . . 0.0 111.431 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.96 -38.86 73.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.186 -179.541 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.661 ' HB3' HD22 ' A' ' 49' ' ' LEU . 12.4 mt-30 -55.75 -44.27 77.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.007 -179.844 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.553 ' HA ' HG12 ' A' ' 57' ' ' VAL . 26.1 t-80 -71.41 -47.02 58.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.202 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.27 -23.54 9.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.518 -179.734 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.432 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 3.0 t80 -90.74 -53.29 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 0.0 111.069 -179.771 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.934 HG23 HD12 ' A' ' 65' ' ' LEU . 12.5 p -67.03 -9.77 10.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -179.175 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 m -122.49 -35.81 3.03 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.103 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.3 -9.79 21.96 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -178.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -124.02 -67.75 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.723 0.297 . . . . 0.0 111.75 -179.369 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.515 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -40.47 150.02 0.29 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.058 -179.331 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.91 160.34 46.19 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.834 2.356 . . . . 0.0 112.392 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -47.25 -32.59 4.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.0 t -61.06 -46.97 88.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.684 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.934 HD12 HG23 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -66.75 -31.94 72.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.596 179.772 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -72.01 -32.98 67.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.717 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -58.77 -50.06 75.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -66.62 -31.13 71.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.722 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -60.0 -52.93 63.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.775 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -71.11 -30.01 65.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.31 -61.75 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.697 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.2 pp -55.72 -36.23 66.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.697 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.1 t80 -78.46 -27.83 46.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.898 179.903 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -42.84 65.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.943 0.401 . . . . 0.0 110.564 179.707 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.604 ' O ' HG23 ' A' ' 79' ' ' THR . 32.0 m80 -76.96 -35.76 57.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.5 179.589 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.82 HG23 ' CD1' ' A' ' 43' ' ' LEU . 86.2 m -58.33 -44.16 88.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.058 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -63.82 -53.66 47.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.375 -179.713 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.61 -32.44 74.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.502 -179.505 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 75' ' ' HIS . 11.0 p -64.67 -52.71 55.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 110.979 -179.885 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.541 HD23 ' HA ' ' A' ' 40' ' ' ARG . 71.3 mt -54.6 -34.26 61.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.791 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -71.01 -35.71 72.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.641 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 39.3 mtp -73.67 -29.24 62.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.781 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.508 ' CB ' ' HE3' ' A' ' 109' ' ' MET . . . -85.63 -27.8 25.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -94.22 22.48 5.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.6 tpp -130.4 -30.77 1.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.728 -179.618 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -43.83 -29.12 0.5 Allowed 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.403 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.946 0.403 . . . . 0.0 110.458 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.7 HD13 ' CE1' ' A' ' 103' ' ' HIS . 0.9 OUTLIER . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.639 0.257 . . . . 0.0 110.982 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.433 ' O ' HD11 ' A' ' 36' ' ' LEU . 69.2 Cg_exo -51.55 -23.1 13.96 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.684 2.256 . . . . 0.0 112.81 -179.781 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.7 ' CE1' HD13 ' A' ' 101' ' ' LEU . 10.4 p80 -87.26 -23.0 24.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.39 -179.587 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -51.34 -41.39 60.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.945 0.403 . . . . 0.0 110.844 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.479 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 4.3 p30 -73.57 -41.31 63.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.791 179.893 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.47 HG13 HG21 ' A' ' 39' ' ' VAL . 32.2 t -56.75 -67.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.569 -179.811 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -49.67 -45.1 48.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.477 -179.543 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.2 -29.01 68.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.233 -179.726 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.512 ' HG2' HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -64.1 -63.4 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.925 -179.932 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.484 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -48.37 -29.73 4.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.803 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.58 -36.38 83.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.376 179.525 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.572 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -61.39 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.796 179.698 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.484 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.2 OUTLIER -62.62 -30.3 48.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.733 179.865 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 87.0 m -60.05 -35.67 75.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.014 0.435 . . . . 0.0 110.259 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -86.62 -43.01 12.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.471 179.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.513 ' CD1' HD13 ' A' ' 72' ' ' LEU . 47.9 m95 -64.51 -50.91 65.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.449 179.618 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.0 t -56.76 -50.42 72.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.219 179.38 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -60.19 -33.56 72.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.382 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.407 ' O ' ' N ' ' A' ' 123' ' ' LEU . 2.8 ttt -68.77 -38.53 80.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.558 179.704 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 16.6 ttm-85 -52.05 -42.73 63.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.694 179.739 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -81.72 -38.46 25.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.091 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.88 -59.9 2.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.27 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.72 HD21 ' HB ' ' A' ' 57' ' ' VAL . 2.9 tp -51.32 -44.15 61.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.078 -179.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.98 -41.32 78.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -70.49 -51.6 27.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.13 -33.91 71.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.178 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 14.2 ttm -59.44 -42.97 93.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 139.66 42.97 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.532 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 18.6 mt . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 111.035 179.97 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.617 HG23 ' HB2' ' A' ' 35' ' ' GLN . 1.2 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.785 0.326 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.58 -37.5 68.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.51 -38.77 88.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.617 ' HB2' HG23 ' A' ' 32' ' ' THR . 1.6 tm0? -66.45 -42.71 87.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.746 179.877 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 36' ' ' LEU . 3.8 mm? -52.93 -49.64 65.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.032 0.444 . . . . 0.0 109.992 179.333 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.477 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 2.0 pp -81.52 -17.69 47.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.109 179.416 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.409 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 40.9 t -66.34 -30.78 71.26 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.78 0.324 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.511 HG23 ' CE ' ' A' ' 109' ' ' MET . 2.7 m -89.64 -36.5 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.286 -179.9 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.685 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -66.59 -25.69 66.74 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.422 179.929 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -85.17 -34.18 22.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.443 179.455 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -37.2 29.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.197 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.916 HD13 HG23 ' A' ' 76' ' ' THR . 0.2 OUTLIER -73.86 -50.64 19.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.007 -179.622 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.431 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -52.97 -47.2 68.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.138 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.03 -49.27 77.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -70.02 -29.09 66.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.74 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -69.95 69.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 173.65 132.54 1.55 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.533 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 53' ' ' GLN . 30.1 mt -74.25 151.0 87.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -61.28 -83.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.555 2.17 . . . . 0.0 112.462 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.22 -67.69 0.24 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.781 0.324 . . . . 0.0 111.283 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -67.21 -30.54 70.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.235 -179.588 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.586 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -54.56 -40.31 68.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.178 -179.848 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.453 ' HA ' HG12 ' A' ' 57' ' ' VAL . 27.8 t-80 -73.92 -37.53 64.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -58.55 -19.9 41.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.727 -179.52 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.427 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 2.6 t80 -97.59 -59.33 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 111.146 -179.533 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.728 ' HB ' HD21 ' A' ' 123' ' ' LEU . 12.8 p -57.91 -15.8 5.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.155 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -116.33 -37.2 3.82 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.18 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.8 -9.78 23.92 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -125.52 -67.17 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.315 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.416 ' CB ' ' HA ' ' A' ' 57' ' ' VAL . . . -40.59 150.16 0.29 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.133 -179.289 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.29 160.29 42.38 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.796 2.331 . . . . 0.0 112.519 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -48.21 -32.85 7.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.189 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.8 p -57.5 -46.81 83.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.004 0.43 . . . . 0.0 110.752 179.824 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.612 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -75.06 -28.66 60.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.772 179.79 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -73.15 -50.65 21.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.655 -179.507 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 68' ' ' ARG . 31.7 p30 -58.25 -34.35 70.36 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.265 -179.432 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.493 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -74.45 -31.27 62.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.961 0.41 . . . . 0.0 110.526 179.462 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -59.41 -45.34 91.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.729 179.743 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -74.85 -29.02 60.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -59.41 -60.07 4.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.797 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -56.96 -38.49 73.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.797 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.1 t80 -72.83 -29.8 63.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.74 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.2 t -54.29 -39.34 66.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.032 0.444 . . . . 0.0 110.383 179.608 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -78.98 -26.6 43.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.644 179.446 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.916 HG23 HD13 ' A' ' 43' ' ' LEU . 90.3 m -70.8 -33.26 70.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -76.0 -34.73 59.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.351 -179.674 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -30.52 25.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.451 -179.599 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.473 HG22 ' HA ' ' A' ' 76' ' ' THR . 12.8 t -69.6 -42.13 74.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 110.92 -179.852 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.685 HD23 ' HA ' ' A' ' 40' ' ' ARG . 46.9 mt -57.37 -45.45 84.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.64 -49.46 77.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.744 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.6 mtm -56.8 -24.42 50.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.121 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.478 ' HB2' ' CE ' ' A' ' 109' ' ' MET . . . -76.74 -43.93 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.191 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.458 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 1.2 t0 -86.33 46.34 1.33 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -130.49 -46.57 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.984 0.421 . . . . 0.0 111.005 179.839 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -24.91 7.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.766 -179.631 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.458 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 18.1 m80 . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 120.899 0.38 . . . . 0.0 111.01 -179.78 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.683 HD13 ' CE1' ' A' ' 103' ' ' HIS . 2.3 mt . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 120.69 0.281 . . . . 0.0 110.67 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.2 -8.9 24.74 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.581 2.187 . . . . 0.0 112.896 -179.711 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.683 ' CE1' HD13 ' A' ' 101' ' ' LEU . 48.5 p-80 -108.22 -9.09 15.58 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.813 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -54.47 -55.55 27.81 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.934 0.397 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -58.69 -46.98 86.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.694 179.824 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.44 HG13 HG11 ' A' ' 39' ' ' VAL . 21.7 t -57.68 -56.65 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.279 179.823 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -58.72 -44.42 90.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.42 -26.09 66.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.511 ' CE ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -67.92 -60.69 2.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.925 -179.87 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.464 ' O ' HG22 ' A' ' 113' ' ' ILE . 2.7 ptp180 -50.77 -27.33 7.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.741 179.85 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.8 t -67.18 -36.59 82.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.433 179.459 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.603 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -62.02 -44.99 95.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.827 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -63.25 -29.05 46.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.848 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 85.1 m -60.5 -36.59 78.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.999 0.428 . . . . 0.0 110.361 179.684 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.566 ' HB3' HD22 ' A' ' 72' ' ' LEU . 1.4 t0 -86.91 -42.25 13.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.54 179.595 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.462 ' CD1' HD13 ' A' ' 72' ' ' LEU . 59.3 m95 -65.47 -49.58 68.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.473 179.71 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.1 t -58.78 -51.24 70.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.288 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -58.58 -33.03 69.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.331 179.466 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.479 ' HG2' HD22 ' A' ' 123' ' ' LEU . 2.8 ttt -67.29 -42.02 84.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.627 179.675 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -50.27 -41.12 49.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.782 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -82.21 -37.17 26.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.022 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.21 -58.93 3.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.234 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.728 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -51.95 -45.47 64.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.014 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -60.34 -42.66 96.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -67.82 -46.86 70.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.808 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.12 99.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.427 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 11.0 ttm -57.48 -30.22 64.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 129.87 42.52 0.22 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.694 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 24.2 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 111.15 179.832 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.425 ' O ' HD23 ' A' ' 36' ' ' LEU . 10.9 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.844 0.354 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.98 -39.78 90.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.706 179.805 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 m -67.43 -32.08 72.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.353 179.589 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.49 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 15.1 tp60 -68.93 -40.37 79.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.435 179.599 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 36' ' ' LEU . 3.4 mm? -52.95 -49.5 65.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.152 179.379 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.466 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 2.9 pp -81.24 -17.38 49.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.118 179.748 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.49 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 18.9 m -69.39 -28.08 65.85 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.871 0.367 . . . . 0.0 110.678 179.725 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.598 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . 19.9 t -87.37 -39.55 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.466 ' CG ' ' HA ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -67.51 -23.49 65.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.513 179.519 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -80.04 -37.66 33.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.914 179.41 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.598 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 5.8 pt20 -80.23 -36.58 34.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.753 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.779 ' CD1' HG23 ' A' ' 76' ' ' THR . 1.2 tm? -74.1 -58.41 3.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.176 -179.509 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.591 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -50.09 -48.64 53.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.606 -179.776 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -58.08 -50.64 72.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.144 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -28.04 66.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.23 -179.708 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.487 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -67.79 73.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.33 -179.849 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.41 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 162.9 139.94 2.75 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.696 179.889 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.556 ' CD1' HG11 ' A' ' 57' ' ' VAL . 55.4 mt -85.1 146.58 45.73 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.605 0.241 . . . . 0.0 110.702 179.724 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -61.63 -81.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.406 2.07 . . . . 0.0 112.273 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.25 -67.61 0.24 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.834 0.349 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.91 -37.44 74.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 -179.821 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.509 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -57.38 -44.45 84.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.968 -179.892 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.525 ' HA ' HG12 ' A' ' 57' ' ' VAL . 23.1 t-80 -67.87 -43.27 79.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -53.31 -23.29 8.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.584 -179.667 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.439 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 2.0 t80 -92.1 -52.77 4.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 111.097 -179.683 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.123 HG23 HD12 ' A' ' 65' ' ' LEU . 9.6 p -68.38 -9.7 11.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -179.089 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.44 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 2.0 m -122.11 -28.77 4.33 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.094 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.19 -9.85 17.47 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -178.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -128.86 -60.81 1.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.765 -179.384 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.406 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -42.16 149.85 0.42 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.988 -179.325 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.17 160.32 50.0 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.753 2.302 . . . . 0.0 112.412 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -47.36 -41.39 19.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.284 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.0 -34.07 63.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.752 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 1.123 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -80.95 -29.49 35.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.886 179.829 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -77.08 -53.21 8.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.51 -179.696 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -58.47 -34.68 71.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.657 0.265 . . . . 0.0 111.022 -179.648 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.682 ' HD3' HD22 ' A' ' 65' ' ' LEU . 1.3 ptm180 -74.07 -30.32 62.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.967 0.413 . . . . 0.0 110.44 179.474 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -56.03 -58.43 7.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.961 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -67.96 -26.44 65.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.48 -62.24 2.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.884 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.0 pp -57.38 -31.45 65.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.884 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.8 t80 -75.56 -31.37 60.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.805 179.923 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.47 -40.88 72.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.004 0.43 . . . . 0.0 110.38 179.58 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.439 ' CE1' ' NH2' ' A' ' 78' ' ' ARG . 2.0 t60 -79.12 -23.1 44.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.655 179.426 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.779 HG23 ' CD1' ' A' ' 43' ' ' LEU . 39.2 m -78.1 -33.82 50.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -77.0 -26.52 53.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.13 -179.767 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.439 ' NH2' ' CE1' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -90.64 -28.79 18.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.39 -179.72 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 76' ' ' THR . 12.6 t -73.1 -46.91 48.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.312 . . . . 0.0 110.967 -179.882 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.612 HD21 ' HB3' ' A' ' 43' ' ' LEU . 17.8 mt -55.92 -31.55 63.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.7 -53.55 57.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.998 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 69.9 mtm -54.67 -41.99 70.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.529 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . . . -58.32 -63.15 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.023 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.454 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 7.2 t70 -87.37 62.08 6.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.8 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.6 tpt -126.1 -55.58 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 87' ' ' HIS . 36.2 tt0 -67.45 -86.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.033 -179.855 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.454 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 40.4 m80 . . . . . 0 N--CA 1.469 0.507 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.449 HD13 ' CE1' ' A' ' 103' ' ' HIS . 1.7 mt . . . . . 0 CA--C 1.528 0.116 0 CA-C-O 120.678 0.275 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.413 ' O ' HD11 ' A' ' 36' ' ' LEU . 41.4 Cg_exo -56.9 -23.53 51.63 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.66 2.24 . . . . 0.0 112.804 -179.743 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.527 ' HA ' HG22 ' A' ' 106' ' ' VAL . 6.2 p-80 -80.5 -8.97 59.77 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.485 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -71.61 -33.69 69.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.914 0.388 . . . . 0.0 110.78 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.529 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 8.0 p30 -79.21 -46.15 18.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.229 -179.903 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.527 HG22 ' HA ' ' A' ' 103' ' ' HIS . 16.5 m -58.1 -46.32 88.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.429 -179.515 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.508 ' N ' HG23 ' A' ' 106' ' ' VAL . 0.3 OUTLIER -61.62 -42.33 98.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.767 -179.883 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -74.39 -29.29 61.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -56.51 7.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.64 179.834 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.521 ' O ' HG22 ' A' ' 113' ' ' ILE . 2.3 ptm180 -52.97 -31.04 38.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.674 179.737 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.7 m -64.85 -35.53 81.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.47 179.464 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.641 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -62.38 -45.59 92.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.711 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.7 OUTLIER -62.27 -28.4 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 179.842 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 88.9 m -60.95 -36.53 79.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.948 0.404 . . . . 0.0 110.165 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.428 ' HB3' HD22 ' A' ' 72' ' ' LEU . 2.0 t0 -85.23 -43.39 13.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.422 179.497 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.41 ' CH2' ' HA2' ' A' ' 48' ' ' GLY . 71.1 m95 -64.96 -50.7 65.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.507 179.564 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.9 t -57.24 -50.89 71.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.296 179.495 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.34 -30.89 65.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.201 179.195 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.1 ttt -70.5 -38.88 74.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.473 179.518 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.2 -41.17 60.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.688 179.683 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -82.99 -41.14 19.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.926 179.788 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.82 -59.2 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.612 HD21 ' HB ' ' A' ' 57' ' ' VAL . 3.0 tp -52.35 -45.46 65.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -60.9 -47.98 83.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -62.96 -42.22 99.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.76 -37.54 79.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.157 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.439 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 8.0 ttm -59.56 -35.07 73.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 138.71 42.79 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.688 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.77 0.319 . . . . 0.0 111.073 179.93 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.644 HG23 ' H ' ' A' ' 35' ' ' GLN . 12.7 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.857 0.36 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.18 -36.73 85.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.569 179.713 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.3 m -64.68 -31.59 72.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.417 179.671 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.644 ' H ' HG23 ' A' ' 32' ' ' THR . 49.9 tp60 -75.06 -38.04 61.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.521 179.619 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.562 HD23 ' O ' ' A' ' 32' ' ' THR . 3.8 mm? -52.95 -48.17 67.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.057 0.456 . . . . 0.0 110.051 179.35 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 2.7 pp -81.02 -18.86 45.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.706 179.27 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.2 t -66.82 -27.28 67.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.871 0.367 . . . . 0.0 110.577 179.571 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 35' ' ' GLN . 21.3 t -88.74 -40.39 13.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.854 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.483 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -65.36 -27.81 68.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.364 179.631 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -76.62 -41.19 46.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.412 179.538 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -77.4 -29.89 53.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.828 ' CD1' HG23 ' A' ' 76' ' ' THR . 1.4 tm? -80.68 -57.46 3.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.043 -179.831 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.586 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -51.1 -50.36 58.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.465 -179.893 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -56.42 -47.86 78.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.01 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 t -67.64 -26.52 66.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.564 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -85.44 79.6 9.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.454 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 170.84 133.33 1.6 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.591 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.861 HD12 ' HB3' ' A' ' 53' ' ' GLN . 3.0 mm? -85.73 129.7 53.68 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.472 0.177 . . . . 0.0 110.684 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.81 -75.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.308 2.005 . . . . 0.0 112.476 -179.762 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.57 -80.73 0.13 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.802 0.334 . . . . 0.0 111.476 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -54.95 -40.98 70.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.513 -179.447 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.861 ' HB3' HD12 ' A' ' 49' ' ' LEU . 2.0 mt-30 -52.82 -30.29 32.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.137 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.663 ' HA ' HG12 ' A' ' 57' ' ' VAL . 29.1 t-80 -90.01 -34.47 15.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.002 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.89 -18.05 58.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.488 -179.74 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.507 ' HZ ' ' HB3' ' A' ' 126' ' ' ALA . 0.0 OUTLIER -100.05 -47.45 4.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 111.103 -179.74 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.989 HG23 HD12 ' A' ' 65' ' ' LEU . 14.6 p -66.56 -10.12 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.256 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.1 t -122.73 -43.06 2.28 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -179.576 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.86 -10.01 56.05 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.148 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -127.84 -58.74 1.22 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.783 0.325 . . . . 0.0 111.474 -179.735 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.432 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -46.48 149.87 1.3 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.692 -179.597 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -74.02 160.24 43.25 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.752 2.301 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.401 ' HG2' ' N ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -47.39 -29.44 2.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.215 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.401 ' N ' ' HG2' ' A' ' 63' ' ' GLN . 21.4 m -62.76 -42.77 99.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.693 179.792 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.989 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -71.21 -32.21 68.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.664 179.782 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -76.03 -32.92 59.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 179.892 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -59.13 -47.04 86.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.761 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -71.01 -27.83 63.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.406 ' OH ' HD23 ' A' ' 49' ' ' LEU . 13.4 t80 -57.67 -63.34 1.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -67.84 -29.4 68.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 -179.803 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -62.05 -63.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.07 -179.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.741 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.3 pp -58.92 -40.63 85.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.055 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.741 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.3 t80 -71.3 -30.31 66.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.074 -179.888 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.57 -42.5 71.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.942 0.401 . . . . 0.0 110.62 179.793 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -78.0 -23.2 48.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.822 179.603 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.828 HG23 ' CD1' ' A' ' 43' ' ' LEU . 89.6 m -78.3 -31.78 49.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -77.08 -27.96 54.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 -179.721 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.43 -33.22 16.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.287 -179.723 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.514 HG22 ' HA ' ' A' ' 76' ' ' THR . 15.2 t -67.1 -45.15 78.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.086 -179.75 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.602 HD21 ' HB3' ' A' ' 43' ' ' LEU . 21.2 mt -56.87 -37.91 71.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 -179.856 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -57.96 -41.2 82.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.053 -179.888 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 77.4 mtm -61.06 -26.61 67.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.033 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.427 ' O ' ' CE1' ' A' ' 87' ' ' HIS . . . -74.07 -26.17 60.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.411 -179.829 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.06 39.2 1.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.103 -179.843 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.2 mtm -130.57 -47.34 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.428 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.18 -68.67 0.18 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.114 -179.27 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.427 ' CE1' ' O ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.465 0.321 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.281 -179.489 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.72 HD13 ' HE1' ' A' ' 103' ' ' HIS . 0.8 OUTLIER . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.569 0.223 . . . . 0.0 110.463 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.489 ' O ' HD11 ' A' ' 36' ' ' LEU . 50.6 Cg_exo -53.71 -18.97 13.27 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.632 2.222 . . . . 0.0 113.067 -179.481 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.72 ' HE1' HD13 ' A' ' 101' ' ' LEU . 8.2 p-80 -87.7 -8.67 55.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.621 0.248 . . . . 0.0 111.517 -179.728 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.65 -35.67 79.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.84 0.352 . . . . 0.0 110.8 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.41 ' OD1' HG13 ' A' ' 106' ' ' VAL . 4.5 p30 -78.47 -49.28 13.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.619 HG22 ' HA ' ' A' ' 103' ' ' HIS . 19.8 m -56.1 -41.58 69.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.908 0.385 . . . . 0.0 111.117 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.442 ' N ' HG23 ' A' ' 106' ' ' VAL . 30.3 t0 -61.18 -46.66 89.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -72.23 -28.58 63.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.798 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.414 ' HE3' ' HB3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -65.38 -65.38 0.68 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.715 179.868 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.45 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -47.98 -31.55 5.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 179.857 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.5 m -60.53 -38.62 85.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.381 179.477 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.636 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -58.76 -39.92 82.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.901 179.672 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.45 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.8 OUTLIER -61.33 -32.96 54.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.986 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 12.3 p -57.98 -52.31 66.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.048 0.451 . . . . 0.0 110.03 179.516 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -72.4 -46.44 55.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.422 179.316 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.454 ' CH2' ' N ' ' A' ' 48' ' ' GLY . 34.0 m95 -58.93 -54.8 43.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.933 179.838 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.1 t -51.01 -42.99 60.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.004 0.43 . . . . 0.0 110.602 179.775 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -63.43 -35.76 81.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.511 179.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.2 ttt -74.75 -33.68 62.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.763 179.833 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -53.02 -42.81 66.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -81.27 -33.94 32.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.8 -59.74 2.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.296 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.97 -46.62 61.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.52 ' O ' HD12 ' A' ' 129' ' ' ILE . 5.6 mt-30 -58.87 -39.82 82.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -70.92 -54.59 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.202 -179.734 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.507 ' HB3' ' HZ ' ' A' ' 56' ' ' PHE . . . -58.17 -39.0 77.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.333 -179.724 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 7.7 ttm -56.54 -45.3 81.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 145.49 40.01 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.6 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.52 HD12 ' O ' ' A' ' 124' ' ' GLN . 6.7 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.2 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.749 0.309 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.5 p -53.53 -35.71 60.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.821 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -72.43 -27.86 62.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.809 179.778 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.458 ' HA ' ' HB3' ' A' ' 38' ' ' SER . 64.7 tp60 -69.7 -48.24 60.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.513 HD13 ' HB2' ' A' ' 86' ' ' GLN . 88.5 mt -52.92 -45.67 67.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.256 179.562 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 pp -81.24 -23.84 37.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.634 179.125 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.458 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 13.2 t -61.08 -34.35 74.77 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.909 0.385 . . . . 0.0 110.685 179.762 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.677 HG23 ' CE ' ' A' ' 109' ' ' MET . 3.1 m -83.36 -36.57 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.184 -179.902 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.595 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -64.66 -26.8 68.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.904 0.383 . . . . 0.0 110.082 179.511 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -81.99 -37.03 27.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.643 179.549 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -80.36 -36.44 34.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.25 -179.807 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.794 ' CD1' HG23 ' A' ' 76' ' ' THR . 0.1 OUTLIER -73.88 -63.67 1.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.734 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.508 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -47.54 -45.18 26.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.548 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -57.27 -52.72 64.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.577 ' CB ' HD11 ' A' ' 113' ' ' ILE . 46.5 m -65.4 -31.54 72.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 48' ' ' GLY . . . -71.16 -165.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.462 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 34.02 100.84 0.01 OUTLIER Glycine 0 C--N 1.333 0.395 0 CA-C-N 115.845 -0.616 . . . . 0.0 114.0 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.635 ' CD1' HG11 ' A' ' 57' ' ' VAL . 34.1 mt -48.96 153.39 1.53 Allowed Pre-proline 0 C--N 1.331 -0.211 0 CA-C-O 120.744 0.307 . . . . 0.0 111.112 179.786 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -61.91 -80.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.526 2.151 . . . . 0.0 112.406 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.17 -69.15 0.23 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.857 0.36 . . . . 0.0 111.177 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -55.63 -39.35 70.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 -179.73 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.501 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -55.37 -42.41 73.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.066 -179.849 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.531 ' HA ' HG12 ' A' ' 57' ' ' VAL . 23.5 t-80 -68.06 -41.11 82.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.955 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.93 -21.03 26.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.468 -179.682 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.416 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 4.0 t80 -95.91 -51.96 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.222 -179.635 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.924 HG23 HD12 ' A' ' 65' ' ' LEU . 11.3 p -67.51 -9.8 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.053 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.09 -31.28 3.37 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -179.097 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.69 -9.79 21.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.796 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -131.67 -62.34 0.87 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.342 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.514 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -37.41 151.73 0.13 Allowed Pre-proline 0 N--CA 1.464 0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.234 -179.307 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.18 160.26 49.59 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.938 2.425 . . . . 0.0 112.571 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.2 -46.33 23.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.353 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.97 -31.9 61.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.954 0.407 . . . . 0.0 110.797 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.924 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -83.3 -31.66 26.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.732 179.779 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.18 -52.97 8.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.403 -179.804 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -57.96 -39.97 79.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.296 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.426 HH21 ' HE3' ' A' ' 119' ' ' MET . 13.3 ptt180 -69.74 -29.7 67.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.87 0.367 . . . . 0.0 110.816 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.428 ' CE1' HD11 ' A' ' 49' ' ' LEU . 86.6 t80 -58.06 -68.73 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.064 -179.884 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -56.99 -25.03 57.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.216 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.66 -64.08 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.255 -179.784 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.886 HD12 ' N ' ' A' ' 73' ' ' TYR . 3.4 pp -54.75 -28.43 48.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.325 -179.655 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.886 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.7 t80 -83.15 -34.66 25.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.926 179.814 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.82 -44.38 28.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.013 0.435 . . . . 0.0 110.582 179.732 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.827 ' O ' HG23 ' A' ' 79' ' ' THR . 0.1 OUTLIER -75.61 -39.04 58.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.194 179.305 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.794 HG23 ' CD1' ' A' ' 43' ' ' LEU . 99.1 m -59.52 -50.05 75.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.948 179.73 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.437 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 2.2 mt-30 -59.49 -32.38 70.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.002 -179.702 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.4 ' HB2' ' NH1' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -84.05 -36.32 23.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.011 -179.808 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.827 HG23 ' O ' ' A' ' 75' ' ' HIS . 40.5 p -60.84 -47.51 86.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.154 -179.737 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.611 HD21 ' HB3' ' A' ' 43' ' ' LEU . 3.9 mt -56.75 -31.61 64.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.372 . . . . 0.0 110.499 179.83 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.415 ' O ' ' HG3' ' A' ' 85' ' ' MET . 0.3 OUTLIER -57.79 -60.27 3.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.385 179.573 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 59.1 mtm -53.93 -24.18 15.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.811 179.346 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.595 ' HB2' ' HE1' ' A' ' 109' ' ' MET . . . -69.92 -45.43 67.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.331 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.431 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 2.8 t0 -94.67 53.92 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.597 -179.52 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.415 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 39.8 mtt -130.18 -47.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.013 0.435 . . . . 0.0 110.767 179.505 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.513 ' HB2' HD13 ' A' ' 36' ' ' LEU . 11.6 tp60 -48.51 -29.91 4.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.262 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.431 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 7.2 m80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.652 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 3.4 mt . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 120.5 0.19 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 101' ' ' LEU . 33.2 Cg_exo -57.89 -19.84 41.47 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.381 2.054 . . . . 0.0 112.52 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.485 ' HA ' HG22 ' A' ' 106' ' ' VAL . 12.1 p80 -100.88 -8.79 22.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.621 -179.722 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.51 -32.68 3.51 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.875 0.369 . . . . 0.0 111.207 -179.844 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.484 ' OD1' HG13 ' A' ' 106' ' ' VAL . 2.6 p30 -79.21 -58.99 2.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.38 -179.716 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.579 HG12 HG21 ' A' ' 39' ' ' VAL . 35.8 m -55.25 -48.41 76.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.484 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.52 ' N ' HG23 ' A' ' 106' ' ' VAL . 6.3 t0 -61.54 -57.18 13.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.969 0.414 . . . . 0.0 110.78 -179.826 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -60.87 -19.48 60.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.006 179.797 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.677 ' CE ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -67.88 -59.52 3.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.867 0.365 . . . . 0.0 110.696 179.842 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.586 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -51.82 -27.12 11.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.714 179.939 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.1 t -67.04 -39.64 86.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.396 179.52 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.615 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -61.42 -44.58 96.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.978 179.801 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.586 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.6 OUTLIER -62.75 -27.96 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.898 179.91 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 75.8 m -60.51 -40.39 91.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.008 0.432 . . . . 0.0 110.135 179.553 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.426 ' HB3' HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -83.75 -41.31 17.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.737 179.51 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.514 ' NE1' HD13 ' A' ' 72' ' ' LEU . 51.3 m95 -67.9 -43.44 79.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 113' ' ' ILE . 72.9 m -57.76 -48.94 78.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.043 0.449 . . . . 0.0 110.068 179.316 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -59.02 -32.57 69.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.155 179.191 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.426 ' HE3' HH21 ' A' ' 68' ' ' ARG . 1.7 ttt -71.32 -36.56 71.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.591 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -48.74 60.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.794 179.764 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -83.51 -42.26 17.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.057 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.65 -59.92 4.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.292 -179.801 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.818 HD21 ' HB ' ' A' ' 57' ' ' VAL . 4.9 tp -55.45 -42.71 74.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.211 -179.835 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -58.74 -50.6 73.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.361 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -61.82 -45.25 94.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.54 -34.94 78.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 25.0 ttm -57.53 -30.52 65.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 128.87 35.63 0.47 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.621 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 23.3 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 111.052 179.946 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.683 HG23 ' H ' ' A' ' 35' ' ' GLN . 12.4 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.854 0.359 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.5 p -72.38 -35.7 68.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.656 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.9 m -65.93 -31.42 72.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.69 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.683 ' H ' HG23 ' A' ' 32' ' ' THR . 51.3 tp60 -79.29 -36.11 40.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.662 179.867 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 102' ' ' PRO . 1.9 mm? -53.93 -46.47 71.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.986 0.422 . . . . 0.0 110.211 179.532 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.515 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 3.4 pp -78.61 -18.35 54.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.643 179.237 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -70.19 -28.41 65.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.801 0.334 . . . . 0.0 110.719 179.758 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.632 HG13 ' CE ' ' A' ' 109' ' ' MET . 9.9 p -88.15 -29.97 5.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.173 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -75.26 -26.71 59.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 110.253 179.556 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.463 ' HD2' HD12 ' A' ' 37' ' ' LEU . 48.7 m-70 -78.13 -35.74 48.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.94 179.088 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -77.67 -34.59 52.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.714 179.601 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.764 ' CD1' HG23 ' A' ' 76' ' ' THR . 1.1 tm? -78.8 -54.12 6.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.817 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.5 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -54.21 -45.38 72.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.262 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -57.54 -55.45 34.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 m -60.58 -29.24 69.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.783 179.799 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.437 ' HA ' ' CE2' ' A' ' 116' ' ' TRP . . . -77.21 68.18 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.46 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . -176.75 128.19 1.31 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.428 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.718 HD12 ' HB3' ' A' ' 53' ' ' GLN . 2.9 mm? -79.86 137.7 54.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.57 0.224 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.58 -78.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.495 2.13 . . . . 0.0 112.338 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.17 -70.41 0.22 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.856 0.36 . . . . 0.0 111.18 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -61.66 -31.26 71.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.244 -179.726 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.718 ' HB3' HD12 ' A' ' 49' ' ' LEU . 6.0 mt-30 -57.6 -36.2 71.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.019 -179.877 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.598 ' HA ' HG12 ' A' ' 57' ' ' VAL . 27.4 t-80 -83.88 -38.71 20.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -19.18 50.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.388 -179.843 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.428 ' CE2' ' HG ' ' A' ' 123' ' ' LEU . 0.8 OUTLIER -98.0 -49.89 4.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.753 0.311 . . . . 0.0 111.022 -179.756 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.009 HG23 HD12 ' A' ' 65' ' ' LEU . 13.5 p -69.37 -9.85 12.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.133 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 t -123.02 -35.48 3.0 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -179.196 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.44 -9.84 31.53 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.881 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -130.36 -59.91 1.02 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.769 0.319 . . . . 0.0 111.798 -179.494 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.49 149.97 0.55 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.903 -179.402 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.15 160.24 49.69 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.796 2.331 . . . . 0.0 112.351 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 -50.64 -29.38 10.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.08 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -44.3 97.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.6 179.795 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 1.009 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -69.59 -32.14 70.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.581 179.816 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -74.97 -32.91 61.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.67 179.749 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -58.45 -45.44 88.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.725 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -74.09 -27.36 60.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.831 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.451 ' OH ' HD23 ' A' ' 49' ' ' LEU . 13.4 t80 -55.95 -54.95 38.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.958 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -75.12 -31.94 61.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.9 -59.22 5.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.992 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.1 pp -57.1 -34.42 68.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.603 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.2 t80 -79.19 -27.63 42.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.981 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.01 -47.61 71.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.959 0.409 . . . . 0.0 110.793 179.823 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -74.79 -31.93 61.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.538 179.579 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.764 HG23 ' CD1' ' A' ' 43' ' ' LEU . 53.0 m -63.15 -46.41 87.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 78' ' ' ARG . 1.2 pt20 -63.84 -31.64 72.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.961 -179.876 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.423 ' N ' ' HG3' ' A' ' 77' ' ' GLN . 0.1 OUTLIER -79.86 -51.38 9.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.509 179.837 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.9 p -52.93 -33.18 49.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.5 HD13 ' HB2' ' A' ' 44' ' ' ALA . 43.3 mt -72.08 -30.54 65.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.602 179.654 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.32 -50.6 67.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.624 179.799 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.438 ' HB2' ' HB3' ' A' ' 105' ' ' ASN . 15.5 mtp -55.87 -29.41 59.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.658 179.677 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.411 ' CB ' ' HB3' ' A' ' 40' ' ' ARG . . . -60.53 -44.31 96.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.416 179.373 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.498 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -88.96 48.83 1.68 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.544 179.439 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -130.28 -40.22 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.156 -179.68 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.449 ' HG3' ' HG3' ' A' ' 102' ' ' PRO . 0.9 OUTLIER -60.59 -23.86 65.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.504 -179.765 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.498 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 21.7 m80 . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.807 0.337 . . . . 0.0 111.451 -179.543 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.514 HD13 ' HE1' ' A' ' 103' ' ' HIS . 0.3 OUTLIER . . . . . 0 CA--C 1.529 0.173 0 CA-C-O 120.668 0.27 . . . . 0.0 110.733 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.594 ' HB3' HD21 ' A' ' 36' ' ' LEU . 85.8 Cg_exo -51.81 -38.98 68.44 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.199 2.599 . . . . 0.0 113.932 -178.647 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.514 ' HE1' HD13 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -59.12 -18.66 37.64 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.237 -179.704 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.3 -46.42 90.36 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.846 0.355 . . . . 0.0 110.606 179.713 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.438 ' HB3' ' HB2' ' A' ' 82' ' ' MET . 15.2 p30 -74.65 -30.89 61.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.807 179.867 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 102' ' ' PRO . 41.9 t -63.19 -66.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.095 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.22 -39.77 60.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -67.38 -35.23 78.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.632 ' CE ' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -61.21 -43.8 98.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.316 179.682 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.525 ' O ' HG22 ' A' ' 113' ' ' ILE . 5.8 mtt180 -60.56 -29.06 68.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.295 179.435 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.0 t -59.66 -44.46 93.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.342 179.526 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.425 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -57.99 -37.23 73.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.878 179.62 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.525 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.8 OUTLIER -62.99 -32.06 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.949 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 8.2 p -59.11 -52.9 63.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.102 0.477 . . . . 0.0 109.86 179.402 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -48.39 56.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.147 179.145 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.483 ' CD1' HD13 ' A' ' 72' ' ' LEU . 31.9 m95 -56.86 -56.15 25.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.818 179.599 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 70.2 m -51.72 -43.15 62.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.987 0.422 . . . . 0.0 110.555 179.615 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -61.54 -32.54 72.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.34 179.497 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.9 ttm -71.51 -35.45 70.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.626 179.74 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -53.67 -46.07 70.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.689 179.786 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -85.94 -39.06 17.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.71 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.94 -58.49 6.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.171 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.782 HD21 ' HB ' ' A' ' 57' ' ' VAL . 5.9 tp -57.63 -45.4 85.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -58.34 -42.2 86.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.827 179.837 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -69.36 -53.99 16.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.009 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.75 -34.27 65.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.407 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 26.0 ttm -65.73 -31.37 72.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.763 179.865 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 123.92 41.73 0.4 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.314 -179.905 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 27.6 mt . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.341 . . . . 0.0 111.205 -179.89 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.461 0.087 0 CA-C-O 120.819 0.342 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 p -57.46 -32.12 66.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 p -70.21 -31.47 68.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.649 179.842 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.574 ' O ' HG23 ' A' ' 39' ' ' VAL . 11.7 tp60 -70.86 -44.89 65.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.699 179.846 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.94 -49.68 65.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.227 179.472 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.463 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 1.7 pp -81.32 -17.55 48.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.363 179.805 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.558 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 2.5 m -71.46 -23.66 61.86 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.813 0.339 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.611 HG21 HG13 ' A' ' 106' ' ' VAL . 13.2 t -90.59 -44.57 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.518 179.796 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.463 ' CG ' ' HA ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -60.14 -27.67 67.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.995 0.426 . . . . 0.0 110.128 179.072 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -76.72 -42.74 40.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.225 179.389 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -75.33 -27.72 59.35 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.983 179.798 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.726 HD13 HG23 ' A' ' 76' ' ' THR . 0.0 OUTLIER -77.37 -67.67 0.69 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.741 179.953 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.639 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -46.99 -44.14 19.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.627 -179.789 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -55.03 -59.01 5.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.841 0.353 . . . . 0.0 110.962 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -66.26 -28.22 68.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.63 ' HB1' ' CE1' ' A' ' 73' ' ' TYR . . . -73.61 66.54 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.446 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 174.21 120.28 0.58 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.544 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.808 HD12 ' HB3' ' A' ' 53' ' ' GLN . 3.1 mm? -73.78 139.18 76.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.522 0.201 . . . . 0.0 110.733 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 22.3 Cg_exo -63.3 -73.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.319 2.012 . . . . 0.0 112.293 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.3 ttt-85 -148.52 -70.82 0.21 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.835 0.35 . . . . 0.0 111.35 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -58.47 -42.39 87.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.294 -179.545 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.808 ' HB3' HD12 ' A' ' 49' ' ' LEU . 28.7 mt-30 -52.65 -29.61 27.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.135 -179.744 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.424 ' HA ' HG12 ' A' ' 57' ' ' VAL . 27.0 t-80 -89.99 -37.28 14.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.963 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.98 -20.66 39.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.391 -179.808 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -97.47 -60.75 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 110.981 -179.803 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.795 HG23 HD12 ' A' ' 65' ' ' LEU . 9.4 p -58.97 -13.95 4.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -179.204 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.422 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 23.1 t -118.89 -31.33 4.81 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.219 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.93 -9.8 16.93 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -125.06 -63.83 1.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.701 0.286 . . . . 0.0 111.681 -179.466 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.59 149.96 0.37 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.99 -179.346 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.94 160.24 48.2 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.823 2.348 . . . . 0.0 112.635 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.91 -33.37 10.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.231 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.5 p -58.74 -47.13 85.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.708 179.888 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.795 HD12 HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -72.29 -37.06 69.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.592 179.634 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -60.55 -39.15 86.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.56 179.735 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -61.12 -40.58 94.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.205 179.389 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -32.25 73.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.583 179.506 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.545 ' CE2' HD23 ' A' ' 49' ' ' LEU . 10.7 t80 -55.91 -67.76 0.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.201 -179.863 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -64.91 -28.03 69.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 -179.761 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -60.01 -71.32 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.261 -179.701 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.819 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -52.68 -38.43 60.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.5 -179.538 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.819 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.7 t80 -72.16 -30.63 65.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.163 -179.741 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.8 t -55.83 -37.51 68.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.614 179.767 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.502 ' O ' HG23 ' A' ' 79' ' ' THR . 47.2 m-70 -78.58 -28.21 45.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.865 179.785 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.726 HG23 HD13 ' A' ' 43' ' ' LEU . 18.2 m -73.94 -40.55 63.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.207 -179.851 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -68.6 -31.77 71.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.483 -179.347 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -88.38 -9.44 52.66 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -179.445 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 75' ' ' HIS . 3.3 p -92.87 -43.42 8.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.557 0.218 . . . . 0.0 111.298 -179.689 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.639 HD22 ' HB2' ' A' ' 44' ' ' ALA . 1.8 mt -51.91 -26.12 9.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.742 0.306 . . . . 0.0 111.043 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.52 -43.8 96.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.587 179.629 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 65.5 mtm -68.66 -27.6 66.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.745 179.732 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.42 ' CB ' ' HB3' ' A' ' 40' ' ' ARG . . . -61.28 -52.1 66.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.004 179.931 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.529 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 1.7 p30 -88.95 51.5 2.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.8 179.877 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.6 tpt -130.48 -37.05 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.928 -179.578 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -73.57 -5.17 38.59 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.082 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.529 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 71.3 m80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 111.126 -179.882 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' ' 101' ' ' LEU . 1.2 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.727 0.299 . . . . 0.0 110.766 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.09 -42.03 0.44 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.651 2.234 . . . . 0.0 112.464 -179.847 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -77.37 -8.93 58.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.538 -179.687 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -48.21 -56.54 7.68 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.841 0.353 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.548 ' OD1' HG23 ' A' ' 106' ' ' VAL . 5.6 p30 -60.14 -51.86 67.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.908 179.932 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.611 HG13 HG21 ' A' ' 39' ' ' VAL . 24.6 t -54.85 -56.61 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.597 -179.817 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.01 -48.92 64.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.387 -179.657 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.448 ' HB3' HG21 ' A' ' 79' ' ' THR . 0.7 OUTLIER -73.2 -31.62 64.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.973 -179.833 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.486 ' SD ' HD12 ' A' ' 43' ' ' LEU . 4.2 mtm -70.17 -57.35 5.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.855 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.574 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -53.84 -25.64 20.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.95 0.405 . . . . 0.0 110.389 179.417 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -66.77 -38.49 86.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.151 179.324 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.72 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -57.21 -37.03 71.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.588 179.483 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.574 HG22 ' O ' ' A' ' 110' ' ' ARG . 1.5 tp -66.51 -31.84 55.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.433 179.56 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 63.0 m -56.44 -38.12 71.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.151 179.38 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.69 -46.48 11.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.207 179.274 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.543 ' CD1' HD13 ' A' ' 72' ' ' LEU . 24.9 m95 -58.13 -52.52 65.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.491 179.533 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.0 t -54.4 -47.06 73.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.453 179.46 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -60.54 -32.95 71.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.406 179.473 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 6.1 ttt -68.77 -38.55 80.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.62 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 33.8 ttt-85 -54.04 -39.34 66.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.695 179.81 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -83.44 -33.92 25.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.794 179.755 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.91 -59.32 2.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.7 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -53.66 -43.49 68.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.996 179.942 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -58.7 -43.35 90.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -67.88 -50.9 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.807 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.59 89.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 20.0 ttm -56.91 -37.1 70.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 133.63 43.07 0.14 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.638 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 31.0 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 111.063 179.916 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.854 0.359 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.0 p -55.19 -40.11 70.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 179.906 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 m -64.57 -30.31 71.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.483 179.517 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.524 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -67.79 -46.09 72.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.65 179.789 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.752 HD11 ' O ' ' A' ' 102' ' ' PRO . 4.2 mm? -52.95 -47.91 67.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.055 0.455 . . . . 0.0 110.011 179.376 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.48 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 1.3 pp -81.38 -18.62 44.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.293 179.62 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.449 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 27.8 t -71.01 -28.05 64.13 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.714 0.293 . . . . 0.0 111.253 -179.625 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 35' ' ' GLN . 6.6 t -88.65 -41.41 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 0.0 110.884 -179.886 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.499 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -63.16 -26.1 68.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.961 0.41 . . . . 0.0 110.226 179.409 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -78.13 -39.16 42.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.17 179.233 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -80.91 -30.78 35.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.033 179.851 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.774 HD11 ' HB3' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -75.61 -53.67 8.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.041 -179.799 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.583 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . . . -57.21 -35.89 70.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.085 179.905 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -59.3 -46.31 88.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.719 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.9 m -78.13 -25.88 47.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.805 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.825 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -74.16 78.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.345 -179.906 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.92 123.29 0.65 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.668 179.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.519 HD11 HG11 ' A' ' 57' ' ' VAL . 20.7 mt -73.0 144.23 84.92 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.615 0.245 . . . . 0.0 110.672 179.871 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.45 -83.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.382 2.055 . . . . 0.0 112.297 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.24 -67.37 0.24 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.81 0.338 . . . . 0.0 111.074 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -63.98 -31.0 72.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 -179.873 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.44 ' HG2' HD23 ' A' ' 123' ' ' LEU . 0.3 OUTLIER -56.21 -42.14 76.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.997 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.549 ' HA ' HG12 ' A' ' 57' ' ' VAL . 18.3 t-80 -73.99 -36.32 64.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.045 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.42 -21.68 38.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.442 -179.738 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.401 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 1.7 t80 -96.61 -53.92 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 111.088 -179.699 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.906 HG23 HD12 ' A' ' 65' ' ' LEU . 12.1 p -65.87 -9.69 8.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -179.406 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.469 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 9.0 t -113.88 -38.5 4.21 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -178.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.1 t -106.89 -9.96 16.16 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -178.689 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -117.38 -66.41 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.722 0.296 . . . . 0.0 111.485 -179.634 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.98 150.29 0.61 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.643 -179.656 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.15 160.1 49.03 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.666 2.244 . . . . 0.0 112.341 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.36 -38.02 62.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.061 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.6 p -56.76 -41.06 76.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.746 179.82 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.906 HD12 HG23 ' A' ' 57' ' ' VAL . 0.8 OUTLIER -67.44 -30.83 70.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.631 179.738 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -75.09 -32.95 61.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.789 179.87 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -58.89 -45.64 89.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -73.61 -26.52 60.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -57.76 -54.19 49.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -71.1 -30.35 66.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -60.24 -57.87 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.06 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.861 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.0 pp -58.34 -36.37 73.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.011 -179.881 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.861 ' N ' HD12 ' A' ' 72' ' ' LEU . 3.5 t80 -75.8 -30.39 59.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.847 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.8 p -54.76 -37.84 66.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.019 0.438 . . . . 0.0 110.386 179.613 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.421 ' O ' HG22 ' A' ' 79' ' ' THR . 11.0 m170 -81.47 -26.08 35.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.523 179.415 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.825 HG21 ' CB ' ' A' ' 47' ' ' ALA . 17.6 m -72.88 -36.1 67.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -74.89 -32.39 61.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 -179.654 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.37 -38.45 18.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.181 -179.912 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.541 HG22 ' HA ' ' A' ' 76' ' ' THR . 14.7 t -62.43 -46.76 87.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 110.955 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.583 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 62.8 mt -55.78 -35.1 65.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -63.45 -54.43 36.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 61.7 mtm -57.61 -22.31 44.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.24 25.11 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.318 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -138.91 26.33 2.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.2 mtm -130.14 -41.1 1.28 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 -179.857 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -42.52 -29.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.044 -179.569 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.342 . . . . 0.0 111.079 -179.796 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.708 HD13 ' CE1' ' A' ' 103' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.559 0.218 . . . . 0.0 110.694 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.752 ' O ' HD11 ' A' ' 36' ' ' LEU . 57.9 Cg_exo -51.69 -21.91 12.14 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.576 2.184 . . . . 0.0 112.924 -179.655 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.708 ' CE1' HD13 ' A' ' 101' ' ' LEU . 34.4 p-80 -84.01 -23.35 30.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.615 0.245 . . . . 0.0 111.285 -179.738 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.426 ' CG ' HD12 ' A' ' 101' ' ' LEU . 5.3 mm-40 -52.76 -50.88 62.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.803 0.335 . . . . 0.0 110.657 179.728 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.503 ' O ' ' HG2' ' A' ' 109' ' ' MET . 4.7 p30 -59.02 -47.35 85.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.226 179.399 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.429 ' HA ' ' HG2' ' A' ' 109' ' ' MET . 80.1 t -45.95 -60.24 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.09 179.582 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -57.42 -33.85 68.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.994 0.426 . . . . 0.0 110.242 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.36 -22.88 62.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.124 179.748 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' A' ' 105' ' ' ASN . 2.3 mmt -66.87 -55.87 12.84 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.972 0.415 . . . . 0.0 110.534 179.881 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.11 -29.34 63.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.645 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -41.54 99.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.387 179.647 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.774 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -66.81 -48.04 70.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.81 179.655 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.26 -30.56 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.785 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 91.4 m -59.33 -38.07 79.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.36 179.606 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -87.48 -41.89 13.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.7 179.694 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -66.19 -50.58 63.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.68 179.748 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.0 t -57.84 -49.64 76.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.316 179.479 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -60.48 -31.77 70.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.292 179.257 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.2 ttt -74.93 -34.03 62.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.667 179.706 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -53.23 -43.27 67.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.736 179.814 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.46 -35.89 20.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.907 179.906 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.8 -58.54 4.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.724 HD21 ' HB ' ' A' ' 57' ' ' VAL . 2.6 tp -57.03 -42.5 80.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.967 179.911 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -59.56 -49.26 78.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.869 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -67.14 -44.67 79.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.44 -37.8 82.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 26.4 ttm -59.07 -47.81 83.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.819 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 149.54 41.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.462 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 16.5 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.815 0.341 . . . . 0.0 111.067 179.974 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.481 HG23 ' H ' ' A' ' 35' ' ' GLN . 12.5 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.906 0.384 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -58.01 -30.93 66.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.801 179.844 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 m -67.37 -32.37 73.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.774 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.619 ' OE1' HG13 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -78.02 -34.96 50.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.91 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 36' ' ' LEU . 3.8 mm? -52.79 -48.29 66.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.062 0.458 . . . . 0.0 109.896 179.508 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.513 HD12 ' HD2' ' A' ' 41' ' ' HIS . 2.8 pp -80.0 -22.35 42.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.224 178.9 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.5 t -59.28 -47.86 83.79 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.698 179.699 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.644 HG21 HG12 ' A' ' 106' ' ' VAL . 2.2 m -72.34 -36.86 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.023 179.822 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.724 ' HA ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -64.55 -22.69 67.04 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.144 179.454 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.513 ' HD2' HD12 ' A' ' 37' ' ' LEU . 35.3 m-70 -83.6 -35.23 24.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.398 179.368 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 1.2 pp0? -81.85 -35.42 29.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.875 ' HB3' HD21 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -74.38 -66.63 0.71 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.448 179.806 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 1.025 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -46.35 -44.44 16.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.588 179.865 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -52.73 -50.38 63.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.848 0.356 . . . . 0.0 110.784 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.8 t -71.25 -26.9 63.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.682 179.642 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.543 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -72.57 65.63 0.68 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.449 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 175.64 130.67 1.35 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.525 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.686 HD12 ' HB3' ' A' ' 53' ' ' GLN . 2.7 mm? -83.18 136.31 43.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.52 0.2 . . . . 0.0 110.675 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 33.0 Cg_exo -58.25 -74.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.323 2.016 . . . . 0.0 112.441 -179.766 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.49 -74.81 0.18 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.857 0.36 . . . . 0.0 111.267 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.88 -38.92 62.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.353 -179.584 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.686 ' HB3' HD12 ' A' ' 49' ' ' LEU . 17.9 mt-30 -57.28 -33.36 67.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.628 ' HA ' HG12 ' A' ' 57' ' ' VAL . 22.8 t-80 -90.13 -39.88 12.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -56.3 -21.65 25.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.494 -179.725 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.54 -58.59 1.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.956 -179.747 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.861 HG23 HD12 ' A' ' 65' ' ' LEU . 10.9 p -56.19 -18.98 6.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.25 -179.32 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.7 p -112.77 -41.41 3.8 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.24 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.72 -9.83 39.28 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -178.886 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -124.58 -62.4 1.26 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.683 0.277 . . . . 0.0 111.611 -179.544 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.95 150.01 0.78 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.782 -179.54 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.66 160.17 48.94 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.762 2.308 . . . . 0.0 112.485 -179.829 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -49.54 -39.34 34.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.192 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 p -56.97 -47.05 81.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.92 0.391 . . . . 0.0 110.716 179.846 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.861 HD12 HG23 ' A' ' 57' ' ' VAL . 1.4 tm? -63.4 -34.98 78.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.407 179.625 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 69' ' ' TYR . 85.0 mtt180 -72.08 -32.77 67.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.78 179.662 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -56.21 -43.96 79.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -74.03 -26.2 60.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.225 -179.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.4 ' HB3' ' O ' ' A' ' 66' ' ' ARG . 8.0 t80 -55.41 -58.58 7.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.001 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -69.5 -27.94 65.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 -179.773 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -68.43 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 111.14 -179.857 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.721 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.4 pp -53.7 -39.18 64.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.06 -179.861 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.721 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.4 t80 -69.84 -29.55 66.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.749 179.877 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.73 -45.49 70.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.97 0.414 . . . . 0.0 110.336 179.599 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -75.19 -22.18 58.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.753 179.46 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.786 HG23 ' CD1' ' A' ' 43' ' ' LEU . 81.8 m -77.28 -35.97 54.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.057 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -75.04 -24.7 58.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.396 -179.713 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.12 -33.92 13.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.343 -179.715 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.527 HG22 ' HA ' ' A' ' 76' ' ' THR . 13.9 t -64.2 -47.13 80.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.089 -179.784 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 1.025 HD13 ' HB2' ' A' ' 44' ' ' ALA . 30.8 mt -62.12 -37.98 87.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.974 -179.8 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -55.24 -35.5 65.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.012 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 34.5 mtp -70.12 -31.36 68.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.462 ' HB2' ' HE1' ' A' ' 109' ' ' MET . . . -68.73 -50.47 50.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.82 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.473 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 4.1 t70 -86.07 51.29 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.9 tpp -130.26 -46.3 1.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.217 -179.899 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -19.29 47.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.956 -179.359 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.473 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 37.5 m80 . . . . . 0 C--N 1.33 -0.241 0 CA-C-O 120.987 0.422 . . . . 0.0 111.029 -179.838 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.641 HD13 ' HE1' ' A' ' 103' ' ' HIS . 1.0 OUTLIER . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 120.63 0.252 . . . . 0.0 110.588 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 101' ' ' LEU . 52.9 Cg_exo -55.37 -22.73 34.98 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.597 2.198 . . . . 0.0 112.906 -179.634 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.641 ' HE1' HD13 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -88.65 -8.87 53.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.574 -179.623 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -70.34 -33.79 71.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.839 0.352 . . . . 0.0 110.732 179.803 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.508 ' OD1' HG13 ' A' ' 106' ' ' VAL . 8.0 p30 -71.97 -49.21 39.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.938 179.883 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.644 HG12 HG21 ' A' ' 39' ' ' VAL . 31.7 m -57.16 -35.89 49.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.052 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -61.46 -54.72 39.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.48 179.72 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.07 -25.86 64.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.678 179.574 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.489 ' HE1' ' HA ' ' A' ' 80' ' ' LEU . 3.1 ttm -59.18 -66.05 0.57 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.787 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.511 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -52.44 -29.76 26.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.811 179.892 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.3 m -58.04 -38.09 75.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.437 179.472 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.625 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -62.34 -47.14 85.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.706 179.638 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.511 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.6 OUTLIER -59.3 -29.49 42.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.739 179.822 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.8 m -58.34 -48.61 79.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.233 179.58 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -80.65 -42.11 22.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.374 179.363 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.489 ' CE2' ' HA ' ' A' ' 47' ' ' ALA . 35.2 m95 -60.02 -51.09 71.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.733 179.773 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.5 t -53.42 -46.06 69.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.48 179.582 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -62.3 -32.02 72.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.5 179.501 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.8 ttt -73.02 -35.72 66.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.609 179.754 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -53.0 -45.18 67.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.768 179.815 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -82.5 -33.92 28.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.848 179.762 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.96 -59.85 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 tp -53.16 -44.51 67.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.502 ' HB3' HD12 ' A' ' 129' ' ' ILE . 17.8 mt-30 -60.91 -40.24 92.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.808 179.859 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.01 -31.62 58.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.792 179.928 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.88 -33.76 59.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 15.6 ttm -61.99 -53.52 54.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 173.5 39.18 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.515 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.502 HD12 ' HB3' ' A' ' 124' ' ' GLN . 26.2 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.817 0.341 . . . . 0.0 111.062 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 p . . . . . 0 N--CA 1.462 0.13 0 CA-C-O 120.808 0.337 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.5 p -56.57 -33.93 66.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 179.812 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.11 -30.03 68.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.37 179.6 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.616 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -70.96 -40.86 71.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.618 179.654 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.91 -48.77 66.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.129 179.4 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 pp -81.27 -22.54 38.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.695 179.29 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.441 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 42.9 t -61.78 -32.75 73.04 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-O 120.886 0.374 . . . . 0.0 110.6 179.756 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.724 HG12 ' HG2' ' A' ' 109' ' ' MET . 2.8 t -86.63 -34.07 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.169 -179.884 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.687 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -68.75 -27.13 65.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 110.221 179.641 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -81.11 -35.17 31.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.718 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -36.78 29.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.358 -179.698 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.974 HD13 HG23 ' A' ' 76' ' ' THR . 0.1 OUTLIER -71.59 -62.13 1.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.048 -179.653 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.57 -44.03 56.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.51 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -53.47 -49.72 66.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.055 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.78 -26.56 59.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.587 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -69.59 67.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.196 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.413 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 162.94 130.22 1.1 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.577 179.927 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.671 HD13 ' HB3' ' A' ' 53' ' ' GLN . 14.5 mt -79.58 156.75 75.4 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.566 0.222 . . . . 0.0 110.727 179.852 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 53' ' ' GLN . 10.9 Cg_exo -69.55 -76.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.579 2.186 . . . . 0.0 112.465 -179.642 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.53 -68.77 0.22 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.877 0.37 . . . . 0.0 111.605 -179.814 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -56.07 -45.81 79.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.323 -179.418 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.671 ' HB3' HD13 ' A' ' 49' ' ' LEU . 2.0 mt-30 -55.33 -25.82 37.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.083 -179.887 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.627 ' HA ' HG12 ' A' ' 57' ' ' VAL . 26.7 t-80 -89.26 -33.81 16.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.03 -17.24 62.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.356 -179.761 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.422 ' CD2' ' HG3' ' A' ' 127' ' ' MET . 0.6 OUTLIER -99.32 -48.03 4.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.759 0.314 . . . . 0.0 111.044 -179.821 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.851 HG23 HD12 ' A' ' 65' ' ' LEU . 14.2 p -68.44 -9.9 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -179.144 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -124.36 -38.12 2.46 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.37 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.56 -9.77 43.05 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.016 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -130.1 -62.44 0.94 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.764 -179.463 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.26 149.81 0.43 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.915 -179.341 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.11 160.2 48.0 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.694 2.263 . . . . 0.0 112.244 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.434 ' HG2' ' N ' ' A' ' 64' ' ' SER . 2.6 pm0 -50.37 -30.49 12.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.117 -179.899 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.434 ' N ' ' HG2' ' A' ' 63' ' ' GLN . 30.7 t -60.75 -46.0 92.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.47 179.724 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.851 HD12 HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -68.99 -34.41 75.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.419 179.569 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -69.06 -37.28 78.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.561 179.652 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -59.47 -36.21 75.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.617 179.741 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -68.22 -35.11 77.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.742 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -54.56 -67.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.314 -179.754 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.31 -30.76 70.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.104 -179.741 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -60.15 -65.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.841 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.5 pp -56.38 -36.97 69.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.21 -179.759 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.841 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.7 t80 -72.18 -33.47 67.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.122 -179.867 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.2 m -53.39 -38.63 63.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.003 0.43 . . . . 0.0 110.378 179.655 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -78.58 -24.82 45.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.684 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.974 HG23 HD13 ' A' ' 43' ' ' LEU . 98.9 m -73.37 -46.52 48.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.096 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -62.46 -37.55 86.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.565 -179.336 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.1 -27.9 48.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.416 -179.487 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.421 HG22 ' HB2' ' A' ' 108' ' ' ASP . 1.0 OUTLIER -70.59 -48.33 55.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.121 -179.848 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.687 HD23 ' HA ' ' A' ' 40' ' ' ARG . 2.8 mt -56.21 -31.04 63.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.337 . . . . 0.0 110.925 -179.914 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.94 -53.73 54.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.73 179.883 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.416 ' CB ' ' HB3' ' A' ' 105' ' ' ASN . 52.3 mtm -60.35 -20.37 59.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 179.551 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.532 ' HB2' ' CE ' ' A' ' 109' ' ' MET . . . -71.79 -58.5 3.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.092 179.889 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.441 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 1.8 p30 -84.21 54.52 2.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.202 -179.736 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.1 tpp -130.29 -46.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.96 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -57.16 -22.65 41.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.647 -179.702 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.441 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 22.1 m80 . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.974 0.416 . . . . 0.0 111.117 -179.767 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.554 HD12 ' CG ' ' A' ' 104' ' ' GLU . 6.0 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.657 0.265 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.68 -40.29 5.63 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.604 2.203 . . . . 0.0 112.775 -179.497 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.63 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.5 OUTLIER -78.93 -8.77 59.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.763 -179.446 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.554 ' CG ' HD12 ' A' ' 101' ' ' LEU . 1.1 mm-40 -62.63 -36.29 82.34 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.985 0.421 . . . . 0.0 110.61 179.665 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.551 ' OD1' HG13 ' A' ' 106' ' ' VAL . 7.9 p30 -79.01 -49.43 12.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.275 -179.78 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.63 HG22 ' HA ' ' A' ' 103' ' ' HIS . 6.5 m -59.23 -46.15 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.477 -179.607 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.458 ' N ' HG23 ' A' ' 106' ' ' VAL . 83.3 m-20 -61.56 -56.98 14.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.98 0.419 . . . . 0.0 110.537 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.421 ' HB2' HG22 ' A' ' 79' ' ' THR . 79.8 m-20 -59.7 -20.41 56.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.833 179.644 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.724 ' HG2' HG12 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -66.7 -54.56 21.76 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.875 0.369 . . . . 0.0 110.625 179.846 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.518 ' O ' HG22 ' A' ' 113' ' ' ILE . 1.8 mtt85 -55.63 -26.7 45.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.507 179.63 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 t -65.41 -38.42 89.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.513 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.7 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -61.97 -45.62 92.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.707 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.5 OUTLIER -62.01 -27.72 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.792 179.852 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 90.0 m -61.73 -36.91 82.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.988 0.423 . . . . 0.0 110.221 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -84.44 -42.47 15.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.417 179.501 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.497 ' CD1' HD13 ' A' ' 72' ' ' LEU . 64.5 m95 -66.19 -50.44 63.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.614 179.607 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.3 m -57.74 -51.07 71.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.477 179.617 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -56.82 -30.9 64.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.42 179.55 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.2 ttt -71.65 -34.38 69.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.417 179.595 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -42.07 70.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.591 179.689 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -82.1 -38.17 25.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.922 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.97 -59.65 2.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.799 HD21 ' HB ' ' A' ' 57' ' ' VAL . 5.1 tp -52.86 -39.61 62.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -63.03 -54.29 40.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.796 179.861 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -61.58 -38.29 87.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.92 -31.66 69.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.422 ' HG3' ' CD2' ' A' ' 56' ' ' PHE . 10.0 ttm -58.98 -38.21 78.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 144.94 44.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 20.9 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.812 0.339 . . . . 0.0 111.085 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.5 t0 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.824 0.345 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -70.16 174.41 5.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.71 HG23 HD22 ' A' ' 36' ' ' LEU . 2.1 m -66.29 153.77 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.924 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.6 p -58.11 158.79 6.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.021 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 m -60.58 -39.62 88.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.397 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.02 -28.08 69.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.43 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -77.54 -34.92 53.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.561 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.71 HD22 HG23 ' A' ' 31' ' ' VAL . 2.8 mm? -52.99 -48.96 67.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.106 0.479 . . . . 0.0 109.996 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.51 HD12 ' HD2' ' A' ' 41' ' ' HIS . 3.0 pp -78.67 -24.25 45.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.357 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 t -64.61 -35.93 82.58 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.665 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.831 HG22 ' HG2' ' A' ' 109' ' ' MET . 6.1 p -78.57 -31.17 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.649 ' HA ' ' HE3' ' A' ' 109' ' ' MET . 0.0 OUTLIER -75.34 -22.92 57.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.17 179.249 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.51 ' HD2' HD12 ' A' ' 37' ' ' LEU . 34.6 m-70 -79.91 -33.74 39.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.795 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -76.67 -33.56 58.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.818 ' HB3' HD21 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -72.38 -64.43 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.769 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.411 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . . . -52.11 -36.56 51.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.468 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -56.04 -48.72 75.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.799 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.412 ' CB ' HD11 ' A' ' 113' ' ' ILE . 61.5 m -80.66 -27.27 37.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.811 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.652 ' HB1' ' CE1' ' A' ' 73' ' ' TYR . . . -72.04 64.59 0.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.488 ' N ' ' CZ3' ' A' ' 116' ' ' TRP . . . 173.56 103.21 0.16 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.532 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.803 HD12 ' CB ' ' A' ' 53' ' ' GLN . 3.8 mm? -57.32 141.57 77.44 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 120.535 0.207 . . . . 0.0 110.61 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.406 ' HB2' ' H ' ' A' ' 51' ' ' ARG . 32.5 Cg_exo -56.42 -82.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.377 2.051 . . . . 0.0 112.717 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.406 ' H ' ' HB2' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -148.63 -68.57 0.22 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.884 0.373 . . . . 0.0 111.398 -179.817 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.13 -37.0 52.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.376 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.803 ' CB ' HD12 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -59.22 -39.9 84.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.991 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.47 ' HA ' HG12 ' A' ' 57' ' ' VAL . 27.2 t-80 -70.12 -45.3 67.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -53.9 -24.06 14.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.254 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -95.07 -58.9 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.024 HG23 HD12 ' A' ' 65' ' ' LEU . 10.8 p -61.26 -12.97 6.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.7 t -117.45 -34.32 4.33 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.92 -9.77 18.66 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -123.95 -67.24 0.94 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.456 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -39.97 151.24 0.24 Allowed Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.155 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.4 160.29 50.01 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.896 2.398 . . . . 0.0 112.547 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -46.98 -40.72 14.97 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.292 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -56.11 -33.16 64.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.002 0.429 . . . . 0.0 110.754 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.024 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -82.87 -29.1 29.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.889 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -77.08 -53.03 8.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.455 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -59.77 -36.21 76.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.088 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -73.22 -25.41 60.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.771 0.32 . . . . 0.0 110.918 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.67 ' CE2' HD23 ' A' ' 49' ' ' LEU . 7.2 t80 -59.45 -60.01 4.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.761 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.74 -27.91 67.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.172 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -55.92 -66.06 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.118 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.874 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.0 pp -52.87 -34.61 55.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.977 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.874 ' N ' HD12 ' A' ' 72' ' ' LEU . 8.0 t80 -74.51 -32.12 62.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.807 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.5 t -53.22 -37.47 62.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.032 0.444 . . . . 0.0 110.547 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.63 ' O ' HG23 ' A' ' 79' ' ' THR . 0.3 OUTLIER -79.89 -28.94 39.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.749 179.625 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.816 HG23 HD13 ' A' ' 43' ' ' LEU . 41.1 m -71.43 -38.37 71.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.172 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -67.09 -45.83 76.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.2 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.8 -21.13 62.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.549 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 75' ' ' HIS . 8.5 p -79.02 -48.14 14.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.605 0.24 . . . . 0.0 111.299 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.818 HD21 ' HB3' ' A' ' 43' ' ' LEU . 6.0 mt -55.5 -34.75 64.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.789 0.328 . . . . 0.0 110.994 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -57.58 -34.01 68.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 17.9 mtm -72.59 -31.46 65.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.783 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.478 ' HB2' ' HE2' ' A' ' 109' ' ' MET . . . -67.13 -61.76 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.0 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.577 ' O ' HG21 ' A' ' 91' ' ' THR . 7.2 t0 -82.22 57.1 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.977 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.447 ' HG3' HG21 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -130.18 -49.58 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.033 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -56.33 -22.34 30.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.788 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.744 ' HB2' HG22 ' A' ' 91' ' ' THR . 21.4 m80 -67.71 71.22 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 0.0 111.243 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -52.2 -24.56 7.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.505 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -90.28 -36.03 14.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.675 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.1 mtt -89.16 -56.64 3.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.697 0.284 . . . . 0.0 111.553 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.744 HG22 ' HB2' ' A' ' 87' ' ' HIS . 11.6 t -103.46 -167.74 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 111.168 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.96 97.79 2.19 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.666 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -94.28 34.47 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.754 0.311 . . . . 0.0 111.233 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 96' ' ' ILE . 54.1 m -99.47 -114.44 0.16 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.776 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.23 74.99 0.04 OUTLIER Glycine 0 C--N 1.335 0.497 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.638 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.447 HG21 ' HG3' ' A' ' 85' ' ' MET . 26.5 pt -121.43 -175.1 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.703 0.287 . . . . 0.0 111.05 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -47.15 166.71 0.18 Allowed Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.048 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.73 55.22 0.88 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.828 2.352 . . . . 0.0 112.702 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 53.49 104.44 0.01 OUTLIER Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.846 -0.692 . . . . 0.0 113.021 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.03 161.09 16.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.729 0.299 . . . . 0.0 110.643 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.581 HD13 ' CE1' ' A' ' 103' ' ' HIS . 1.5 mt -75.9 132.63 74.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.956 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.408 ' HB3' HD21 ' A' ' 36' ' ' LEU . 44.9 Cg_exo -56.51 -17.43 21.89 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.621 2.214 . . . . 0.0 112.796 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.581 ' CE1' HD13 ' A' ' 101' ' ' LEU . 5.2 p-80 -89.63 -8.85 51.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.459 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -71.35 -33.79 69.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.875 0.369 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -76.61 -46.31 26.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.161 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.675 HG12 HG11 ' A' ' 39' ' ' VAL . 29.4 m -56.9 -39.61 66.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.264 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -61.45 -57.18 13.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.731 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.492 ' CG ' HG21 ' A' ' 79' ' ' THR . 2.8 t0 -62.36 -23.29 66.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.831 ' HG2' HG22 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -58.1 -66.2 0.52 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.168 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.505 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -56.61 -22.97 37.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.903 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.5 m -68.82 -41.08 79.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.117 0.484 . . . . 0.0 110.351 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.765 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -65.05 -45.86 83.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.624 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.505 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -61.2 -25.97 37.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.623 179.537 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 88.4 m -63.13 -37.08 85.78 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -82.86 -41.06 19.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.278 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.637 ' HZ3' HD22 ' A' ' 49' ' ' LEU . 35.9 m95 -67.19 -48.73 67.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.682 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 98.5 p -54.02 -46.97 71.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.569 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -59.86 -31.86 70.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.56 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.7 ttt -73.77 -36.16 65.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.679 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -51.29 -47.56 62.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -80.8 -33.86 34.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.061 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.99 -59.88 2.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.322 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.621 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.6 tp -51.22 -46.39 62.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.221 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.525 ' O ' HD12 ' A' ' 129' ' ' ILE . 0.1 OUTLIER -57.97 -42.65 85.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -70.19 -52.07 26.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.41 -35.91 72.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 34.1 ttm -57.54 -43.81 84.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 141.34 38.52 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.849 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.525 HD12 ' O ' ' A' ' 124' ' ' GLN . 2.8 mp -134.27 158.47 42.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 111.181 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.48 ' N ' HG22 ' A' ' 129' ' ' ILE . 4.9 m-70 -129.99 128.09 41.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -101.07 154.76 18.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.56 82.03 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.112 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.836 0.351 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.425 ' ND2' ' HG3' ' A' ' 102' ' ' PRO . 1.7 m-20 -107.91 141.93 38.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.452 HG22 ' HB2' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -50.1 157.53 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.9 p -56.36 140.29 45.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.58 -32.61 63.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.791 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 m -70.78 -30.96 67.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.763 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.438 ' HA ' ' HB3' ' A' ' 38' ' ' SER . 64.5 tp60 -72.83 -44.83 60.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 36' ' ' LEU . 22.8 mt -52.78 -46.71 67.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.068 0.461 . . . . 0.0 110.139 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.422 ' C ' HD12 ' A' ' 37' ' ' LEU . 3.2 pp -81.18 -24.5 37.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.728 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.438 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 22.3 t -57.8 -48.76 78.79 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.898 0.38 . . . . 0.0 110.746 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.725 HG13 ' HE2' ' A' ' 109' ' ' MET . 14.9 p -75.87 -29.21 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.302 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.646 ' HA ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -69.88 -28.1 65.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.868 0.366 . . . . 0.0 110.393 179.672 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -72.85 -39.23 66.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -79.02 -33.47 44.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.252 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.857 ' CD1' HG23 ' A' ' 76' ' ' THR . 0.2 OUTLIER -75.97 -67.13 0.71 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.739 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 1.097 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -44.27 -44.63 8.15 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.782 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -55.94 -51.02 69.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.187 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 t -70.61 -29.04 65.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.05 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.744 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -70.98 72.85 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.186 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.455 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . -169.53 140.12 5.94 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.563 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.663 HD13 ' HD2' ' A' ' 50' ' ' PRO . 3.0 mm? -87.32 136.16 33.78 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 120.553 0.216 . . . . 0.0 110.761 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.663 ' HD2' HD13 ' A' ' 49' ' ' LEU . 33.6 Cg_endo -65.47 -85.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.26 1.973 . . . . 0.0 112.316 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -148.34 -78.36 0.15 Allowed 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 120.833 0.349 . . . . 0.0 111.354 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.02 -40.4 89.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.641 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.61 ' O ' HG12 ' A' ' 57' ' ' VAL . 26.2 mt-30 -50.57 -27.09 6.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.38 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.571 ' HA ' HG12 ' A' ' 57' ' ' VAL . 23.4 t-80 -84.49 -50.87 7.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 111.065 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -51.19 -24.89 4.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.505 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.83 -53.75 4.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.033 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.812 HG23 HD12 ' A' ' 65' ' ' LEU . 12.7 p -66.03 -9.96 9.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.41 -38.75 2.97 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.38 -9.83 29.06 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -126.36 -63.68 1.08 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.33 149.94 0.29 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.143 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.28 160.28 45.34 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.847 2.365 . . . . 0.0 112.53 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -47.79 -38.78 16.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.212 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.5 m -56.99 -46.24 82.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.764 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.812 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -66.43 -37.63 85.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.622 179.729 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -69.72 -32.91 71.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.812 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -57.0 -47.74 80.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -72.16 -27.54 62.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.517 ' HD2' HG21 ' A' ' 57' ' ' VAL . 14.6 t80 -58.91 -54.22 49.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -78.23 -30.93 49.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.077 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -64.2 -53.73 44.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.038 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.747 HD12 ' N ' ' A' ' 73' ' ' TYR . 3.9 pp -58.8 -40.94 85.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.045 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.747 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.5 t80 -75.93 -30.79 58.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.006 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 26.2 t -52.51 -37.29 57.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.597 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.63 ' O ' HG23 ' A' ' 79' ' ' THR . 55.6 m80 -79.6 -35.64 39.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.601 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.857 HG23 ' CD1' ' A' ' 43' ' ' LEU . 87.7 m -60.92 -33.82 73.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -73.2 -47.11 46.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.472 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.88 -33.96 64.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.524 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 75' ' ' HIS . 20.4 p -60.91 -61.24 2.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.334 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 1.097 HD13 ' HB2' ' A' ' 44' ' ' ALA . 18.4 mt -53.89 -30.29 45.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.8 0.333 . . . . 0.0 110.951 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -47.97 83.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.787 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.401 ' HB2' ' HB3' ' A' ' 105' ' ' ASN . 27.7 mtm -64.99 -30.42 71.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.643 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . . . -69.26 -52.98 22.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.458 ' O ' HG21 ' A' ' 91' ' ' THR . 7.8 t70 -85.96 52.88 2.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.636 ' HA ' HG21 ' A' ' 91' ' ' THR . 1.5 tpt -130.22 -45.76 1.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -25.62 6.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.686 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.471 ' HB2' HG22 ' A' ' 91' ' ' THR . 7.3 m80 -70.41 66.57 0.31 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.951 0.405 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.6 mtm-85 -49.18 -24.69 1.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.793 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -92.27 -30.17 16.01 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.445 ' HE3' ' HB3' ' A' ' 87' ' ' HIS . 5.5 mtm -94.15 -51.44 4.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.575 0.226 . . . . 0.0 111.607 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.636 HG21 ' HA ' ' A' ' 85' ' ' MET . 13.4 t -100.9 -171.08 1.94 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.812 0.339 . . . . 0.0 110.969 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.92 96.52 2.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.792 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.641 ' HA ' HD13 ' A' ' 96' ' ' ILE . . . -94.21 34.17 1.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.747 0.308 . . . . 0.0 111.307 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 63.5 m -99.79 -114.62 0.17 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.633 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.26 75.33 0.13 Allowed Glycine 0 C--N 1.335 0.496 0 C-N-CA 120.541 -0.837 . . . . 0.0 112.406 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.641 HD13 ' HA ' ' A' ' 93' ' ' ALA . 21.7 pt -127.46 -175.45 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.848 0.356 . . . . 0.0 111.156 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.14 167.38 0.25 Allowed Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.013 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.63 53.74 2.32 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.881 2.387 . . . . 0.0 112.596 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 45.86 78.71 0.08 OUTLIER Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.959 -0.639 . . . . 0.0 113.011 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -179.93 3.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.748 0.309 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.621 HD12 ' HG3' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -73.18 137.44 78.77 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.693 179.868 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 101' ' ' LEU . 19.0 Cg_exo -65.95 -28.99 49.73 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.554 2.169 . . . . 0.0 112.691 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.75 -12.59 47.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.748 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.621 ' HG3' HD12 ' A' ' 101' ' ' LEU . 7.7 mm-40 -59.07 -36.27 74.77 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.971 0.415 . . . . 0.0 110.495 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.453 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 8.8 p30 -79.16 -48.94 13.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.896 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.417 ' HA ' HG11 ' A' ' 39' ' ' VAL . 28.5 t -47.86 -68.71 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.958 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -55.75 -53.44 56.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.406 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -57.34 -26.06 60.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.429 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.725 ' HE2' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -61.75 -55.66 27.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.961 0.41 . . . . 0.0 110.551 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.469 ' O ' HG22 ' A' ' 113' ' ' ILE . 4.3 mtt180 -54.01 -27.42 31.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.554 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -63.94 -37.14 86.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.528 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.678 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -60.73 -47.05 88.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -61.62 -28.64 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 80.7 m -59.96 -37.4 79.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.956 0.408 . . . . 0.0 110.285 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -87.09 -40.12 14.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.437 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.541 ' CZ3' HD22 ' A' ' 49' ' ' LEU . 37.2 m95 -65.25 -50.08 67.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.529 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.6 t -58.23 -47.21 84.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.439 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.25 -35.01 76.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.513 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.9 ttt -68.91 -37.73 79.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.726 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.92 -43.72 66.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -83.24 -33.95 25.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.46 -59.33 2.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.359 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.674 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.6 tp -54.36 -45.48 72.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.162 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.8 ' O ' HD12 ' A' ' 129' ' ' ILE . 2.0 mt-30 -57.39 -47.97 80.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -65.38 -42.24 92.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.22 -35.88 76.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.231 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 21.5 ttm -56.94 -48.97 77.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 156.86 39.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.607 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.8 HD12 ' O ' ' A' ' 124' ' ' GLN . 2.4 mt -132.45 158.38 43.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.789 0.328 . . . . 0.0 111.013 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.483 ' N ' HG22 ' A' ' 129' ' ' ILE . 69.2 m80 -122.15 107.13 11.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -89.92 150.22 22.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.113 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -149.94 84.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.279 -0.867 . . . . 0.0 111.117 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.801 0.334 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -132.08 -178.61 4.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.628 HG23 ' CD2' ' A' ' 36' ' ' LEU . 2.7 m -81.73 169.73 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.882 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 t -72.71 145.25 47.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.025 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.39 -40.19 24.9 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.797 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.3 p -63.12 -31.37 72.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.412 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -35.36 63.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.628 ' CD2' HG23 ' A' ' 31' ' ' VAL . 4.5 mm? -52.88 -49.3 66.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.123 0.487 . . . . 0.0 110.103 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 pp -81.08 -25.04 37.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.595 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.9 t -58.75 -37.65 76.69 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.859 0.361 . . . . 0.0 110.683 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.4 ' HB ' ' CE ' ' A' ' 109' ' ' MET . 39.4 t -81.65 -35.39 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.167 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.708 ' HA ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -67.54 -25.25 65.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.754 0.311 . . . . 0.0 110.556 179.751 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -78.36 -38.17 42.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.703 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -79.28 -30.28 42.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.251 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.845 ' HB3' HD21 ' A' ' 80' ' ' LEU . 0.6 OUTLIER -76.36 -67.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.783 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 1.068 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -45.16 -43.78 10.25 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.574 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -56.52 -45.04 81.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 m -74.45 -23.38 58.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 48' ' ' GLY . . . -77.75 -167.7 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.076 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 47' ' ' ALA . . . 33.82 99.98 0.01 OUTLIER Glycine 0 CA--C 1.52 0.386 0 CA-C-N 115.725 -0.67 . . . . 0.0 113.963 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.656 HD13 ' HB3' ' A' ' 53' ' ' GLN . 59.0 mt -50.21 149.81 4.9 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.687 0.279 . . . . 0.0 111.069 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.69 -79.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.583 2.189 . . . . 0.0 112.44 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.18 -69.32 0.23 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.847 0.356 . . . . 0.0 110.97 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -54.07 -39.84 66.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.037 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.656 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -62.06 -28.12 69.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.518 ' HA ' HG12 ' A' ' 57' ' ' VAL . 19.0 t-80 -82.66 -45.04 15.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.48 -25.9 7.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.383 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.401 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 4.6 t80 -85.08 -58.59 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.953 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.731 HG23 HD12 ' A' ' 65' ' ' LEU . 14.7 p -61.38 -12.45 6.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -179.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -117.39 -37.76 3.45 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.64 -9.76 21.58 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -123.89 -67.61 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.404 ' CB ' ' HA ' ' A' ' 57' ' ' VAL . . . -39.26 150.82 0.22 Allowed Pre-proline 0 N--CA 1.463 0.207 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.154 -179.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.22 160.25 50.58 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.833 2.355 . . . . 0.0 112.5 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.03 -38.98 40.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.143 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.5 m -57.84 -39.35 77.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.731 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -73.83 -35.58 64.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.834 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.05 -33.71 72.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -62.27 -47.18 85.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.98 -27.07 63.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -54.47 -71.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -59.07 -24.18 62.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -63.81 -64.24 0.95 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.154 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.888 HD12 ' N ' ' A' ' 73' ' ' TYR . 3.5 pp -55.34 -30.38 60.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.106 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.888 ' N ' HD12 ' A' ' 72' ' ' LEU . 7.0 t80 -78.6 -33.6 47.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.766 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.96 -44.72 50.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.021 0.439 . . . . 0.0 110.41 179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.422 ' O ' ' HB ' ' A' ' 79' ' ' THR . 4.1 m-70 -78.22 -25.71 47.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.53 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.743 HG23 HD11 ' A' ' 43' ' ' LEU . 44.5 m -73.98 -46.69 42.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -67.52 -25.24 65.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.34 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.28 -33.14 13.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.744 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.538 HG22 ' HA ' ' A' ' 76' ' ' THR . 13.0 t -65.19 -47.05 78.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.752 0.31 . . . . 0.0 110.928 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 1.068 HD13 ' HB2' ' A' ' 44' ' ' ALA . 55.5 mt -58.54 -40.03 81.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.67 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.33 -44.28 84.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.474 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.433 ' CB ' ' HB3' ' A' ' 105' ' ' ASN . 0.0 OUTLIER -58.63 -26.68 63.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.697 179.488 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.477 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . . . -82.74 -28.71 30.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -90.9 38.66 0.96 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.262 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.698 ' CE ' HD11 ' A' ' 96' ' ' ILE . 65.3 mtp -130.44 -46.59 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.003 0.43 . . . . 0.0 110.81 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -42.16 -31.21 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.864 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.718 ' HB2' HG22 ' A' ' 91' ' ' THR . 2.6 m80 -72.42 64.51 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.866 0.365 . . . . 0.0 110.682 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -72.51 -20.14 61.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -100.11 -38.8 8.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -69.5 -72.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.012 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.718 HG22 ' HB2' ' A' ' 87' ' ' HIS . 5.2 t -103.88 164.7 11.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.87 69.84 1.14 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.531 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.17 -62.92 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.54 -179.43 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.82 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -122.72 61.89 0.55 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.571 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.698 HD11 ' CE ' ' A' ' 85' ' ' MET . 14.7 pt -120.37 166.21 15.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.938 0.399 . . . . 0.0 111.237 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.89 165.22 3.48 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.807 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 99' ' ' GLY . 93.1 Cg_endo -87.16 40.87 0.69 Allowed 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.779 2.32 . . . . 0.0 112.538 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 98' ' ' PRO . . . -20.74 -54.26 0.01 OUTLIER Glycine 0 C--N 1.338 0.654 0 CA-C-N 116.06 -0.518 . . . . 0.0 114.206 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.413 ' SD ' ' HE2' ' A' ' 82' ' ' MET . 0.0 OUTLIER -109.26 179.86 4.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.973 0.416 . . . . 0.0 111.222 -179.589 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.539 HD13 ' NE2' ' A' ' 103' ' ' HIS . 28.9 mt -103.63 149.55 37.2 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.892 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.449 ' O ' HD11 ' A' ' 36' ' ' LEU . 78.2 Cg_exo -50.05 -24.68 11.32 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.754 2.303 . . . . 0.0 112.869 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.539 ' NE2' HD13 ' A' ' 101' ' ' LEU . 4.8 p80 -89.18 -8.83 52.85 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -70.78 -33.75 71.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.023 0.439 . . . . 0.0 110.522 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.477 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 9.2 p30 -74.02 -42.14 60.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.183 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 103' ' ' HIS . 11.2 m -65.4 -37.26 79.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.802 0.334 . . . . 0.0 111.207 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.15 -52.58 63.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.807 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.35 -25.27 65.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.697 ' CG ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -63.9 -63.65 1.1 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.955 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.468 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -50.17 -30.16 10.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.795 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -61.93 -36.44 81.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.479 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.612 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -61.45 -50.72 71.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.804 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.468 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -57.06 -29.58 31.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 48.8 m -59.95 -39.66 86.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.947 0.404 . . . . 0.0 110.354 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.86 -40.37 14.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.617 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.448 ' NE1' HD13 ' A' ' 72' ' ' LEU . 74.1 m95 -66.93 -43.59 82.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.758 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 113' ' ' ILE . 68.4 m -61.8 -50.39 72.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.048 0.451 . . . . 0.0 110.042 179.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.89 -33.84 72.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.283 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 4.1 ttt -72.54 -36.06 68.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.608 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -50.86 -43.82 59.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.808 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.06 -41.59 20.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.964 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.54 -58.54 6.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.259 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.491 HD21 ' HB ' ' A' ' 57' ' ' VAL . 4.2 tp -52.66 -44.53 66.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -57.16 -47.98 79.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -61.62 -51.69 67.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.038 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.32 88.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.213 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.401 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 7.8 ttm -55.39 -46.52 76.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 152.9 43.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.531 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 130' ' ' HIS . 22.4 mt -134.28 159.69 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 111.052 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.487 ' N ' HG22 ' A' ' 129' ' ' ILE . 70.3 m80 -133.9 114.0 12.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -107.14 147.79 29.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -149.81 92.39 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.567 HD12 ' N ' ' A' ' 133' ' ' ILE . 3.5 mp . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.174 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 t70 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.842 0.353 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -97.87 -178.07 3.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.761 HG23 ' CD2' ' A' ' 36' ' ' LEU . 2.4 m -60.74 151.7 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.025 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.653 HG23 ' H ' ' A' ' 35' ' ' GLN . 5.0 t -56.2 162.83 1.83 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -37.83 88.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.612 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.94 -31.43 72.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.743 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.653 ' H ' HG23 ' A' ' 32' ' ' THR . 56.3 tp60 -72.95 -37.37 67.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.84 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.761 ' CD2' HG23 ' A' ' 31' ' ' VAL . 3.0 mm? -52.86 -49.22 66.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.117 0.484 . . . . 0.0 110.151 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 pp -81.13 -23.19 38.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.587 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.5 t -55.58 -46.98 77.18 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.746 HG23 ' CE ' ' A' ' 109' ' ' MET . 0.2 OUTLIER -77.47 -40.49 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.228 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.594 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -60.57 -20.82 61.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.77 0.319 . . . . 0.0 110.25 179.492 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -81.91 -36.59 27.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.273 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.515 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 8.1 pt20 -81.58 -37.39 27.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.741 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.902 ' CD1' HG23 ' A' ' 76' ' ' THR . 0.8 OUTLIER -71.06 -58.0 3.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.824 -179.839 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.533 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -50.34 -56.01 13.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.552 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -53.17 -50.28 64.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.236 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.4 m -63.21 -27.74 69.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.664 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -76.96 78.72 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.233 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.445 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 171.84 136.18 2.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.595 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.677 HD12 ' HB3' ' A' ' 53' ' ' GLN . 3.1 mm? -88.28 135.28 33.15 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 120.503 0.192 . . . . 0.0 110.683 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -55.93 -77.45 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.251 1.967 . . . . 0.0 112.459 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -148.7 -70.43 0.21 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.836 0.351 . . . . 0.0 111.491 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -36.11 75.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.409 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.677 ' HB3' HD12 ' A' ' 49' ' ' LEU . 1.7 mp0 -52.16 -25.9 10.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.297 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.615 ' HA ' HG12 ' A' ' 57' ' ' VAL . 31.7 t-80 -90.08 -37.38 14.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.177 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -56.05 -23.35 32.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.527 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 61' ' ' ALA . 3.6 t80 -98.78 -57.96 2.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.755 0.312 . . . . 0.0 111.264 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.992 HG23 HD12 ' A' ' 65' ' ' LEU . 13.3 p -56.3 -16.63 3.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.416 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 51.7 p -117.04 -35.34 4.11 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -179.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.84 -9.83 22.46 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -178.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -127.27 -63.68 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.423 ' CB ' ' HA ' ' A' ' 57' ' ' VAL . . . -40.47 150.74 0.27 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.083 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.32 160.27 45.24 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.789 2.326 . . . . 0.0 112.382 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.401 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -47.17 -39.06 12.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.27 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.4 p -56.01 -37.41 69.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.994 0.426 . . . . 0.0 110.619 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.992 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -75.69 -39.22 57.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.532 179.673 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.401 ' HD2' ' HA ' ' A' ' 63' ' ' GLN . 70.4 mtt180 -70.35 -32.87 70.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.904 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -61.53 -49.87 74.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -70.18 -26.34 63.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.4 ' HD2' HG21 ' A' ' 57' ' ' VAL . 15.3 t80 -53.41 -53.97 43.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.049 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -79.49 -28.18 41.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.073 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.2 -61.84 2.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.071 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.764 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -56.32 -42.16 77.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.078 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.764 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.9 t80 -69.12 -29.06 67.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.6 t -54.95 -43.88 73.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.927 0.394 . . . . 0.0 110.548 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.94 -27.37 61.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.604 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.902 HG23 ' CD1' ' A' ' 43' ' ' LEU . 65.5 m -71.53 -36.73 71.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -74.27 -24.48 59.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.548 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.85 -26.31 14.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.558 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.563 HG22 ' HA ' ' A' ' 76' ' ' THR . 14.7 t -71.95 -48.43 45.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.313 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.66 HD21 ' HB3' ' A' ' 43' ' ' LEU . 4.6 mt -56.74 -37.09 70.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.843 0.354 . . . . 0.0 110.748 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -55.85 -47.58 77.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.773 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 77.7 mtm -65.04 -24.05 67.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.838 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.488 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -75.68 -40.49 55.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.289 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.408 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 34.8 t70 -91.43 40.94 1.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.209 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.609 ' CA ' HG21 ' A' ' 91' ' ' THR . 11.9 tpp -130.5 -40.47 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.402 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.78 -24.24 5.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.935 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.854 ' HB2' HG22 ' A' ' 91' ' ' THR . 21.4 m80 -62.28 -160.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.667 0.27 . . . . 0.0 110.361 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.4 mmt-85 -131.39 -64.32 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.833 0.349 . . . . 0.0 111.414 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -86.61 -42.68 13.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.94 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.9 mtm -56.62 -23.43 41.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.055 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.854 HG22 ' HB2' ' A' ' 87' ' ' HIS . 9.8 t -140.54 -177.95 5.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.687 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.67 107.53 3.56 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.59 -0.815 . . . . 0.0 112.286 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.72 34.12 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.703 0.287 . . . . 0.0 111.437 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.1 m -103.83 -114.74 0.22 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.641 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -70.39 68.43 0.71 Allowed Glycine 0 C--N 1.334 0.471 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.403 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.459 HG22 ' SD ' ' A' ' 85' ' ' MET . 42.7 pt -87.19 -176.55 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 111.26 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -53.38 166.79 0.51 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.032 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -69.1 56.83 1.13 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.799 2.333 . . . . 0.0 112.414 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 65.25 125.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.688 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.695 ' HE1' ' HA ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -151.47 153.53 34.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.722 0.296 . . . . 0.0 110.694 179.852 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.678 HD13 ' CE1' ' A' ' 103' ' ' HIS . 1.1 mt -78.14 131.87 68.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.956 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.695 ' HA ' ' HE1' ' A' ' 100' ' ' MET . 41.0 Cg_exo -56.89 -19.17 30.65 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.64 2.227 . . . . 0.0 112.676 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.678 ' CE1' HD13 ' A' ' 101' ' ' LEU . 4.4 p-80 -86.03 -22.7 27.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.179 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -53.27 -53.62 48.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.82 0.343 . . . . 0.0 110.965 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.405 HD21 HD11 ' A' ' 36' ' ' LEU . 8.6 p30 -60.67 -32.19 71.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.713 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.8 t -65.98 -62.02 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -54.71 -35.23 63.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.16 -35.57 64.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.685 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.746 ' CE ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -60.03 -50.14 74.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.512 179.781 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.412 ' O ' HG22 ' A' ' 113' ' ' ILE . 2.1 mtm105 -59.43 -30.84 68.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.482 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -34.77 74.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.639 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.681 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -64.11 -48.35 76.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.81 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.4 OUTLIER -60.6 -28.71 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.706 179.783 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 54.5 m -59.97 -41.46 92.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.358 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -85.68 -41.28 15.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.29 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.487 ' CD1' HD13 ' A' ' 72' ' ' LEU . 40.8 m95 -62.34 -50.09 73.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.408 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.2 t -57.99 -47.18 83.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.393 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.8 -32.96 71.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.528 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.0 ttt -69.17 -40.26 78.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.665 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -51.59 -41.19 61.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.868 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -82.66 -44.26 15.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.0 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.23 -59.09 4.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.281 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.741 HD21 ' HB ' ' A' ' 57' ' ' VAL . 3.8 tp -52.78 -45.16 67.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -57.88 -47.6 82.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.997 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -68.49 -40.53 80.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.28 -37.73 80.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 25.3 ttm -54.95 -49.1 72.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 155.25 41.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 130' ' ' HIS . 21.6 mt -135.34 157.67 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.343 . . . . 0.0 111.133 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.46 ' N ' HG22 ' A' ' 129' ' ' ILE . 20.4 t-160 -130.04 130.14 44.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.11 144.48 40.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.094 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -136.7 85.58 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.098 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.854 0.359 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -124.18 -177.72 3.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.685 HG21 HG11 ' A' ' 106' ' ' VAL . 4.2 m -84.39 154.51 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.8 p -58.98 158.52 8.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.449 ' HA ' HD12 ' A' ' 36' ' ' LEU . 1.3 p -60.01 -38.9 84.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.621 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.34 -26.24 65.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.781 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -78.66 -40.23 34.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 33' ' ' SER . 50.1 mt -52.86 -44.64 66.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.02 0.438 . . . . 0.0 110.158 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 pp -81.31 -29.02 34.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.313 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.9 t -54.76 -48.13 73.0 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.839 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.463 HG13 ' HE3' ' A' ' 109' ' ' MET . 12.1 p -71.42 -38.34 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.557 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -61.73 -25.04 67.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.813 0.339 . . . . 0.0 110.369 179.661 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -74.85 -36.91 62.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.212 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.459 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 4.7 pt20 -81.69 -32.26 31.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.915 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.85 ' HB3' HD21 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -75.43 -67.2 0.68 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.591 -179.859 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 1.083 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -47.0 -46.48 21.8 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.513 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -56.43 -61.34 2.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.833 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 m -59.79 -26.49 65.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' A' ' 116' ' ' TRP . . . -73.28 63.63 0.75 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.227 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.487 ' N ' ' CZ3' ' A' ' 116' ' ' TRP . . . 174.42 112.73 0.3 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.565 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.764 HD23 ' CE2' ' A' ' 69' ' ' TYR . 3.5 mm? -59.91 147.44 79.44 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.56 0.219 . . . . 0.0 110.466 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.57 -83.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.482 2.121 . . . . 0.0 112.557 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.17 -71.14 0.21 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.798 0.332 . . . . 0.0 111.144 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.82 -35.75 45.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.495 ' CB ' HD12 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -61.31 -34.14 74.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.711 ' HA ' HG12 ' A' ' 57' ' ' VAL . 25.5 t-80 -75.65 -41.33 54.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.48 -19.45 47.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.417 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -97.56 -38.31 9.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.396 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.995 HG23 HD12 ' A' ' 65' ' ' LEU . 14.1 p -77.85 -9.6 12.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.2 m -121.68 -40.8 2.52 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -90.77 -9.8 45.22 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -129.43 -62.62 0.97 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.808 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -42.62 150.48 0.42 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.972 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.74 160.31 48.39 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.796 2.331 . . . . 0.0 112.495 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -46.45 -42.59 15.59 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.265 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.08 -31.6 61.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.796 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.995 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -84.71 -29.59 25.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.862 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -77.1 -50.43 13.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.39 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -61.62 -38.98 89.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.006 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.658 ' HD3' HD22 ' A' ' 65' ' ' LEU . 7.8 ptm180 -69.14 -26.88 65.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.81 0.338 . . . . 0.0 110.826 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.764 ' CE2' HD23 ' A' ' 49' ' ' LEU . 7.5 t80 -58.82 -59.28 5.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.761 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -71.26 -27.62 63.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.2 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.6 -60.99 2.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.09 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.737 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.5 pp -57.19 -34.27 68.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.98 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.737 ' N ' HD12 ' A' ' 72' ' ' LEU . 7.1 t80 -75.29 -32.6 61.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.877 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.36 -37.95 62.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.52 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.568 ' O ' HG23 ' A' ' 79' ' ' THR . 5.0 m80 -82.16 -24.63 34.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.62 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.765 HG23 ' CD1' ' A' ' 43' ' ' LEU . 52.8 m -72.62 -42.91 63.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -67.64 -41.3 84.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.299 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -20.5 60.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.382 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 75' ' ' HIS . 2.5 p -80.33 -52.36 7.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.663 0.268 . . . . 0.0 111.106 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 1.083 HD13 ' HB2' ' A' ' 44' ' ' ALA . 13.4 mt -55.04 -35.54 64.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.87 -24.21 35.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.104 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 68.7 mtm -81.15 -0.76 41.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.422 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.427 ' O ' ' CE1' ' A' ' 87' ' ' HIS . . . -112.96 -25.27 9.07 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.572 0.225 . . . . 0.0 111.558 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -96.22 35.48 1.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.771 0.319 . . . . 0.0 111.205 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.5 mtt -130.87 -51.7 1.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.741 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 88' ' ' ARG . 6.5 mm-40 -37.45 -69.76 0.11 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.086 -0.507 . . . . 0.0 112.079 -179.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.427 ' CE1' ' O ' ' A' ' 83' ' ' ALA . 0.4 OUTLIER -65.06 71.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.098 -179.782 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.445 HH12 HD13 ' A' ' 96' ' ' ILE . 4.0 mtt-85 -52.26 -32.53 37.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.113 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -56.83 -51.76 67.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.632 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 65.5 mtm -80.29 -34.46 36.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.049 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.6 t -176.85 137.64 0.25 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.905 0.383 . . . . 0.0 111.355 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.615 ' O ' ' N ' ' A' ' 94' ' ' SER . . . 134.91 -85.56 0.26 Allowed Glycine 0 CA--C 1.509 -0.32 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.639 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 92' ' ' GLY . . . 22.17 35.8 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.615 ' N ' ' O ' ' A' ' 92' ' ' GLY . 15.4 m -135.51 174.93 10.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.735 0.302 . . . . 0.0 110.797 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -55.81 95.41 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.393 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 94' ' ' SER . 19.6 pt -84.5 -174.45 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.921 0.391 . . . . 0.0 111.452 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.14 166.35 34.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -69.39 56.97 1.27 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.818 2.345 . . . . 0.0 112.339 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.65 125.06 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.682 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.562 ' HE1' ' HA ' ' A' ' 102' ' ' PRO . 0.3 OUTLIER -145.82 168.25 21.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.34 . . . . 0.0 110.846 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.713 HD12 ' CG ' ' A' ' 104' ' ' GLU . 1.1 mt -80.86 131.35 60.48 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.749 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.562 ' HA ' ' HE1' ' A' ' 100' ' ' MET . 39.1 Cg_exo -60.2 -17.81 48.23 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.418 2.079 . . . . 0.0 112.575 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.415 ' HA ' HG22 ' A' ' 106' ' ' VAL . 28.8 p-80 -94.87 -12.94 26.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.542 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.713 ' CG ' HD12 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -60.45 -28.18 68.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.904 0.383 . . . . 0.0 110.76 179.818 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.551 ' OD1' HG13 ' A' ' 106' ' ' VAL . 6.6 p30 -79.12 -54.16 6.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.335 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.685 HG11 HG21 ' A' ' 31' ' ' VAL . 32.8 m -55.21 -45.94 77.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.765 0.316 . . . . 0.0 111.573 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.476 ' N ' HG23 ' A' ' 106' ' ' VAL . 21.5 t0 -61.42 -54.26 45.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.871 0.367 . . . . 0.0 110.716 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -64.75 -22.83 67.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.482 ' SD ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -66.47 -62.17 1.61 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.791 0.329 . . . . 0.0 110.859 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.466 ' O ' HG22 ' A' ' 113' ' ' ILE . 2.9 ptp85 -51.8 -26.35 9.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.765 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -66.58 -37.16 84.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.547 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.646 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -61.1 -46.29 91.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.812 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.4 OUTLIER -60.02 -29.15 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 60.1 m -60.67 -39.2 87.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.212 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.88 -42.2 15.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.481 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.692 ' HZ3' HD22 ' A' ' 49' ' ' LEU . 46.2 m95 -64.63 -49.55 70.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.569 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.7 t -57.09 -43.91 82.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.539 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -59.3 -35.48 73.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.591 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.6 ttt -71.59 -32.88 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.678 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.8 ttt-85 -55.02 -41.17 70.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.809 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.17 -43.02 15.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.918 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.07 -57.02 9.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.415 HD21 ' HB ' ' A' ' 57' ' ' VAL . 6.9 tp -55.78 -43.74 77.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.403 ' O ' HD12 ' A' ' 129' ' ' ILE . 38.0 mt-30 -59.87 -45.39 92.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -68.27 -52.31 35.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.13 -32.45 64.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 21.1 ttm -67.06 -31.78 72.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.774 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 125.99 38.93 0.44 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.589 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.493 HG22 ' N ' ' A' ' 130' ' ' HIS . 5.9 mt -128.43 158.46 40.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.814 0.34 . . . . 0.0 111.054 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.493 ' N ' HG22 ' A' ' 129' ' ' ILE . 3.1 t-80 -129.65 130.02 45.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -119.52 147.65 44.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.61 ' O ' HD12 ' A' ' 133' ' ' ILE . 0.6 OUTLIER -150.05 79.88 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.758 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.61 HD12 ' O ' ' A' ' 132' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.276 -0.868 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.76 0.314 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.454 ' HB3' ' HB3' ' A' ' 102' ' ' PRO . 2.0 m-20 -101.51 147.91 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.506 HG22 ' HB2' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -52.4 158.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.019 179.798 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 p -58.62 141.04 53.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.658 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -54.69 -31.35 57.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 t -71.75 -29.93 65.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.655 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.421 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 60.6 tp60 -71.69 -41.37 68.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.413 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.543 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 90.2 mt -57.71 -45.6 85.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.145 0.498 . . . . 0.0 109.897 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.452 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 1.8 pp -81.2 -14.95 57.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.937 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.421 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 3.7 m -68.46 -28.29 66.91 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.831 0.348 . . . . 0.0 110.726 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.576 HG11 HG13 ' A' ' 106' ' ' VAL . 27.1 m -91.37 -38.57 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.275 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.652 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -61.88 -27.26 68.68 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.629 -0.429 . . . . 0.0 110.084 179.291 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -81.1 -40.54 23.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.405 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 3.0 pp0? -72.93 -36.59 67.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.777 HD12 ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -69.21 -62.65 1.29 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.625 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.72 -30.99 15.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -59.43 -46.28 89.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.618 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.3 m -86.48 -28.5 23.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.815 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.422 ' HB1' ' HE1' ' A' ' 73' ' ' TYR . . . -74.71 64.03 1.2 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.95 121.52 1.01 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.593 HD13 ' HD2' ' A' ' 50' ' ' PRO . 2.5 mm? -75.18 127.48 86.44 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.573 0.225 . . . . 0.0 110.802 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.593 ' HD2' HD13 ' A' ' 49' ' ' LEU . 37.6 Cg_endo -66.33 -87.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.331 2.021 . . . . 0.0 112.304 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.31 -71.34 0.21 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.887 0.375 . . . . 0.0 111.22 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -60.4 -43.61 96.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.339 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.41 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -52.61 -30.16 29.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.203 -179.741 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.607 ' HA ' HG12 ' A' ' 57' ' ' VAL . 26.7 t-80 -87.79 -36.56 17.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.902 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -21.9 31.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.308 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.431 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 1.9 t80 -95.2 -57.31 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.776 0.322 . . . . 0.0 110.995 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.931 HG23 HD12 ' A' ' 65' ' ' LEU . 15.0 p -61.11 -12.46 5.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.458 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 5.8 t -118.76 -33.43 4.24 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.062 0.394 . . . . 0.0 112.062 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.9 -9.81 18.65 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -124.23 -66.59 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.753 0.311 . . . . 0.0 111.73 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.402 ' CB ' ' HA ' ' A' ' 57' ' ' VAL . . . -41.71 153.33 0.27 Allowed Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.019 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.26 160.21 49.9 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.769 2.313 . . . . 0.0 112.445 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -52.97 -35.27 58.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.1 m -57.74 -40.88 80.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.779 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.931 HD12 HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -71.17 -29.91 65.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.815 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -74.77 -32.97 62.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -62.41 -44.96 95.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -73.24 -24.27 60.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.044 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -56.63 -57.7 11.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -72.79 -27.32 61.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.207 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.18 -60.32 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.26 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.723 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.3 pp -55.1 -44.43 74.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.194 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.723 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.2 t80 -68.9 -24.85 64.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.971 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -50.73 71.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.854 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.516 ' O ' HG23 ' A' ' 79' ' ' THR . 2.2 p-80 -74.16 -19.93 60.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.684 HG23 HD13 ' A' ' 43' ' ' LEU . 88.3 m -72.84 -45.92 55.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.862 0.363 . . . . 0.0 110.798 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -62.4 -42.95 99.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.359 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.67 -30.15 64.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.408 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 75' ' ' HIS . 2.8 p -70.08 -44.28 69.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.748 0.309 . . . . 0.0 110.991 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.652 HD23 ' HA ' ' A' ' 40' ' ' ARG . 23.7 mt -55.83 -25.38 41.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.89 -52.03 41.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 68.3 mtm -54.93 -26.16 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.565 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . . . -89.96 10.02 25.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.31 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.478 ' C ' HG21 ' A' ' 91' ' ' THR . 2.5 t0 -142.52 47.57 1.57 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.8 0.333 . . . . 0.0 110.663 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.22 -57.74 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.349 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -44.51 -29.14 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.092 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.549 ' HB2' HG22 ' A' ' 91' ' ' THR . 3.7 m80 -73.13 71.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.976 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.82 ' HA ' ' HB2' ' A' ' 93' ' ' ALA . 20.1 mtt-85 -52.5 -22.24 4.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.797 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -97.17 -29.88 13.33 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 4.4 mtm -94.43 -20.82 19.36 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.549 HG22 ' HB2' ' A' ' 87' ' ' HIS . 9.0 t -137.85 -160.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.638 0.256 . . . . 0.0 110.969 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.74 110.16 3.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.819 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.82 ' HB2' ' HA ' ' A' ' 88' ' ' ARG . . . -97.56 34.36 1.85 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.814 0.34 . . . . 0.0 111.244 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.1 p -99.5 -114.75 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.808 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.84 72.96 0.17 Allowed Glycine 0 C--N 1.334 0.451 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.517 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 15.2 pt -82.89 -175.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.921 0.391 . . . . 0.0 111.136 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -68.89 166.88 23.33 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.693 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.2 58.34 2.9 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.806 2.338 . . . . 0.0 112.081 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.21 125.06 0.16 Allowed Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.4 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.426 ' HE3' ' O ' ' A' ' 101' ' ' LEU . 2.7 ptm -141.81 159.16 42.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 0.0 111.099 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.426 ' O ' ' HE3' ' A' ' 100' ' ' MET . 6.0 mt -89.13 155.95 49.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.559 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.506 ' HB2' HG22 ' A' ' 31' ' ' VAL . 56.6 Cg_endo -70.53 -46.71 0.84 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.474 2.116 . . . . 0.0 113.006 -179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -8.9 58.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.628 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -57.44 -56.44 21.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.88 0.371 . . . . 0.0 110.65 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.565 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 7.5 p30 -59.72 -49.71 76.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.816 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.576 HG13 HG11 ' A' ' 39' ' ' VAL . 31.8 t -51.34 -58.96 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.528 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -55.95 -50.98 69.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.132 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.33 -24.36 67.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.777 ' SD ' HD12 ' A' ' 43' ' ' LEU . 3.6 tpp -62.46 -58.35 7.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.997 0.427 . . . . 0.0 110.55 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.504 ' O ' HG22 ' A' ' 113' ' ' ILE . 11.1 mtp180 -55.82 -26.9 48.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.529 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 t -60.35 -40.21 89.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.571 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.706 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -63.77 -35.8 81.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.809 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 110' ' ' ARG . 1.1 tp -66.82 -32.25 57.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.801 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 110' ' ' ARG . 14.9 p -58.22 -52.0 67.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.037 0.446 . . . . 0.0 110.144 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -70.68 -49.0 51.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.441 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.48 ' CD1' HD13 ' A' ' 72' ' ' LEU . 27.1 m95 -58.34 -57.62 12.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.7 t -52.45 -42.28 64.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.71 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -61.1 -32.48 72.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.536 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.0 ttt -75.2 -37.98 60.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.762 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -50.24 -41.84 50.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.038 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -85.24 -40.23 16.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.42 -57.95 8.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.733 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.2 tp -56.87 -45.49 82.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -57.85 -47.18 83.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.989 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -66.7 -42.94 85.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.09 94.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.431 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 7.0 ttm -57.74 -44.79 86.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 151.0 45.88 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.548 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 130' ' ' HIS . 33.6 mt -132.79 158.01 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 111.076 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.478 ' N ' HG22 ' A' ' 129' ' ' ILE . 8.1 m-70 -132.48 129.31 39.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -92.68 149.07 21.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.057 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.489 ' O ' HD12 ' A' ' 133' ' ' ILE . 1.5 t0 -150.14 79.96 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.752 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.489 HD12 ' O ' ' A' ' 132' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.057 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.774 0.321 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.401 ' ND2' ' HB2' ' A' ' 102' ' ' PRO . 17.5 m120 -85.5 -176.4 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.79 HG23 HD22 ' A' ' 36' ' ' LEU . 1.2 m -94.26 167.05 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.844 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.629 HG23 ' H ' ' A' ' 35' ' ' GLN . 4.8 t -73.42 160.17 32.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.92 0.39 . . . . 0.0 111.174 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -57.92 -38.08 75.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.863 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.4 m -67.05 -31.91 72.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.81 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.763 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -78.8 -34.81 45.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.79 HD22 HG23 ' A' ' 31' ' ' VAL . 2.3 mm? -52.78 -48.13 67.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.066 0.46 . . . . 0.0 110.146 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.503 HD12 ' HD2' ' A' ' 41' ' ' HIS . 2.9 pp -79.1 -24.29 43.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.588 179.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.1 t -65.34 -29.77 70.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 35' ' ' GLN . 0.9 OUTLIER -82.58 -40.81 17.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.148 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.517 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -68.68 -20.83 64.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.743 0.306 . . . . 0.0 110.586 179.702 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.503 ' HD2' HD12 ' A' ' 37' ' ' LEU . 35.8 m-70 -81.59 -35.07 30.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 110.837 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -79.97 -34.37 38.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.891 HD13 HG23 ' A' ' 76' ' ' THR . 0.3 OUTLIER -77.26 -49.24 15.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.038 -179.538 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.465 ' HA ' HD11 ' A' ' 80' ' ' LEU . . . -53.09 -49.94 65.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.191 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.34 -49.58 77.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 m -64.35 -28.37 69.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.808 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -69.66 68.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.412 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 174.45 132.76 1.6 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.438 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.617 HD13 ' HB3' ' A' ' 53' ' ' GLN . 46.1 mt -67.03 149.78 98.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.59 0.233 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -60.8 -77.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.451 2.101 . . . . 0.0 112.548 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.53 -79.06 0.14 Allowed 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -57.38 -31.92 66.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.483 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.617 ' HB3' HD13 ' A' ' 49' ' ' LEU . 19.8 mp0 -50.76 -34.11 25.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.111 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.596 ' HA ' HG12 ' A' ' 57' ' ' VAL . 25.9 t-80 -77.71 -43.04 32.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.055 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.48 -22.06 19.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.415 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.408 ' CE2' ' HG ' ' A' ' 123' ' ' LEU . 1.0 OUTLIER -94.51 -51.94 4.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 110.978 -179.752 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.596 HG12 ' HA ' ' A' ' 54' ' ' HIS . 15.0 p -69.38 -9.82 12.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.83 -32.8 3.91 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.38 -9.88 21.78 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -129.85 -62.98 0.93 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.862 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.405 ' CB ' ' HA ' ' A' ' 57' ' ' VAL . . . -41.73 149.93 0.38 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.947 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.0 160.27 40.35 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.749 2.299 . . . . 0.0 112.42 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -30.27 11.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.5 p -61.17 -44.79 96.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.647 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.526 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -68.13 -31.51 71.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.646 179.746 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -77.08 -33.92 57.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.674 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -59.62 -45.23 92.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.777 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -71.14 -27.98 63.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -56.27 -46.94 79.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -73.33 -29.5 62.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -57.89 -65.11 0.69 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.767 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -53.61 -40.63 65.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.739 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.767 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.5 t80 -69.05 -30.18 68.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.766 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.0 p -55.26 -36.37 66.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.036 0.446 . . . . 0.0 110.315 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -24.07 40.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.529 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.891 HG23 HD13 ' A' ' 43' ' ' LEU . 62.5 m -76.38 -34.15 58.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -75.46 -30.91 60.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -37.89 19.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.185 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.466 HG22 ' HA ' ' A' ' 76' ' ' THR . 15.0 t -61.98 -44.72 96.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.763 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' ' 40' ' ' ARG . 56.9 mt -58.36 -46.84 85.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.705 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.43 -42.8 74.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.675 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 54.8 mtm -68.39 -29.16 67.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.676 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.532 ' HB2' ' CE ' ' A' ' 109' ' ' MET . . . -67.55 -52.04 43.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.997 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.465 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 1.9 p30 -87.51 47.49 1.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.014 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.402 ' HE2' ' HB ' ' A' ' 96' ' ' ILE . 1.3 tpp -130.29 -47.03 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.039 0.447 . . . . 0.0 110.948 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -51.84 -24.63 6.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.786 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.629 ' HB2' HG22 ' A' ' 91' ' ' THR . 18.0 m80 -68.11 71.08 0.16 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.941 0.4 . . . . 0.0 110.748 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.817 ' HA ' ' HB2' ' A' ' 93' ' ' ALA . 3.5 mmt180 -56.48 -25.48 51.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.422 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -100.36 -29.76 12.23 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.455 ' CG ' ' HB3' ' A' ' 87' ' ' HIS . 2.8 mmt -91.93 -44.61 8.81 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.629 HG22 ' HB2' ' A' ' 87' ' ' HIS . 6.4 t -105.63 -164.93 1.06 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.827 0.346 . . . . 0.0 111.329 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.79 99.65 2.47 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.724 -0.75 . . . . 0.0 113.029 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.817 ' HB2' ' HA ' ' A' ' 88' ' ' ARG . . . -88.45 34.74 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.629 0.252 . . . . 0.0 111.584 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 96' ' ' ILE . 65.0 m -99.26 -114.51 0.16 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.544 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.47 74.74 0.06 OUTLIER Glycine 0 C--N 1.335 0.477 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.356 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 94' ' ' SER . 37.8 pt -119.78 -174.68 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.805 0.336 . . . . 0.0 111.187 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -56.45 164.4 2.03 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -69.18 56.27 1.12 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.835 2.356 . . . . 0.0 112.657 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.98 125.0 0.01 OUTLIER Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.771 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.571 ' HE1' ' HA ' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -139.2 158.44 44.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 110.834 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.515 HD13 ' HE1' ' A' ' 103' ' ' HIS . 1.1 mt -72.34 136.4 81.45 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.571 ' HA ' ' HE1' ' A' ' 100' ' ' MET . 44.1 Cg_exo -56.11 -19.62 27.61 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.531 2.154 . . . . 0.0 112.75 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.515 ' HE1' HD13 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -98.31 -9.01 26.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.698 -179.606 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.75 -28.27 69.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.934 0.397 . . . . 0.0 110.745 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.401 ' OD1' HG13 ' A' ' 106' ' ' VAL . 3.3 p30 -79.05 -51.76 9.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.221 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.574 HG12 HG21 ' A' ' 39' ' ' VAL . 22.4 m -57.89 -28.31 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.736 0.303 . . . . 0.0 111.156 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -68.43 -57.1 6.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.324 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.87 -19.15 65.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.415 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.698 ' HG2' HG12 ' A' ' 39' ' ' VAL . 6.6 tpp -59.8 -66.02 0.58 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.735 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.767 ' O ' HG23 ' A' ' 114' ' ' THR . 0.6 OUTLIER -56.44 -26.97 55.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.724 179.654 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.33 -34.49 72.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.55 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.605 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -69.81 -45.3 68.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.998 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -60.7 -34.64 59.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.767 HG23 ' O ' ' A' ' 110' ' ' ARG . 23.6 p -58.38 -49.84 75.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.082 0.468 . . . . 0.0 110.014 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -73.34 -46.68 47.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.484 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.514 ' CD1' HD13 ' A' ' 72' ' ' LEU . 38.2 m95 -59.94 -54.93 40.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.791 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 54.8 m -52.74 -43.37 65.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.772 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -60.1 -37.86 81.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.595 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.9 ttt -63.33 -36.71 84.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.535 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -55.08 -43.52 74.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.663 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -80.9 -48.16 12.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.014 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.06 -59.46 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.308 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.576 HD21 ' HB ' ' A' ' 57' ' ' VAL . 8.5 tp -53.05 -38.36 62.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -62.96 -47.21 84.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -59.86 -51.56 69.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.73 71.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.4 ' HG3' ' CB ' ' A' ' 56' ' ' PHE . 13.4 ttm -63.23 -46.68 85.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.716 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 150.72 41.31 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.475 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 130' ' ' HIS . 22.6 mt -130.66 158.75 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 111.128 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.485 ' N ' HG22 ' A' ' 129' ' ' ILE . 42.2 m80 -138.47 108.58 6.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -69.08 154.29 42.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -141.04 86.05 2.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.128 179.92 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.806 0.336 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.456 ' ND2' ' HD2' ' A' ' 102' ' ' PRO . 9.2 m-20 -83.83 -178.0 6.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.827 HG23 HD22 ' A' ' 36' ' ' LEU . 3.1 m -70.75 162.25 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.044 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.669 HG23 ' H ' ' A' ' 35' ' ' GLN . 4.0 t -73.01 169.71 16.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.173 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -38.79 92.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.577 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.0 m -65.56 -35.06 79.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.493 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.675 ' O ' HG23 ' A' ' 39' ' ' VAL . 2.7 tt0 -72.18 -38.29 69.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.521 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.827 HD22 HG23 ' A' ' 31' ' ' VAL . 1.9 mm? -52.91 -48.53 67.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.049 0.452 . . . . 0.0 110.141 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.454 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 3.4 pp -81.02 -18.0 48.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.741 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.4 t -73.8 -23.66 59.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.847 0.356 . . . . 0.0 110.598 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.958 HG12 ' HG2' ' A' ' 109' ' ' MET . 22.5 t -87.69 -35.46 8.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.407 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -75.29 -30.4 60.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.103 179.175 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -70.93 -37.06 72.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.106 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -77.64 -30.19 52.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.888 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.88 HD11 ' HB3' ' A' ' 112' ' ' ALA . 0.3 OUTLIER -81.3 -50.63 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 -179.623 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.498 ' HA ' HD11 ' A' ' 80' ' ' LEU . . . -53.79 -45.37 70.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.9 0.381 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -59.55 -47.74 84.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -70.62 -26.33 63.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.813 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -73.94 73.55 1.64 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.072 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.411 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 167.64 142.79 3.57 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.548 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.705 HD13 ' HA ' ' A' ' 54' ' ' HIS . 4.6 mt -75.68 122.98 88.17 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.401 0.143 . . . . 0.0 110.773 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.39 -69.15 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.263 1.975 . . . . 0.0 112.428 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -148.46 -80.71 0.13 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.731 0.3 . . . . 0.0 111.521 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -65.74 -28.37 68.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.547 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.738 ' O ' HG12 ' A' ' 57' ' ' VAL . 16.0 mp0 -50.06 -31.67 13.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.281 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.705 ' HA ' HD13 ' A' ' 49' ' ' LEU . 32.7 t-80 -79.04 -51.42 9.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.32 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -45.6 -28.14 0.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.185 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.429 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 5.8 t80 -93.47 -59.25 2.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.341 . . . . 0.0 111.247 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.744 ' HB ' HD21 ' A' ' 123' ' ' LEU . 12.1 p -58.98 -14.36 4.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.451 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 0.3 OUTLIER -117.9 -28.66 5.87 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.117 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.87 -9.79 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -124.32 -65.24 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' PHE . . . -41.0 149.94 0.32 Allowed Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.101 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.32 160.33 39.22 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.888 2.392 . . . . 0.0 112.378 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.415 ' HG2' ' N ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -47.84 -28.38 2.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.176 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.415 ' N ' ' HG2' ' A' ' 63' ' ' GLN . 73.7 p -59.31 -47.15 86.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.072 0.463 . . . . 0.0 110.629 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.641 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -76.87 -28.76 55.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.984 179.786 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' A' ' 69' ' ' TYR . 3.7 mtp180 -75.43 -51.66 12.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.562 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -57.84 -33.65 68.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.655 0.264 . . . . 0.0 111.178 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.537 ' HD3' HD22 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -74.28 -28.57 61.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.86 0.362 . . . . 0.0 110.725 179.617 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.671 ' CE2' HD11 ' A' ' 49' ' ' LEU . 6.4 t80 -55.8 -51.72 66.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.795 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -66.03 -34.18 77.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.985 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -60.63 -62.65 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.021 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.821 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -56.54 -37.83 71.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.821 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.0 t80 -74.18 -29.83 61.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.4 t -53.13 -44.89 68.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.953 0.406 . . . . 0.0 110.657 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.644 ' O ' HG23 ' A' ' 79' ' ' THR . 3.9 m-70 -73.24 -37.66 66.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.578 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.813 HG21 ' CB ' ' A' ' 47' ' ' ALA . 57.8 m -54.42 -37.95 65.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -68.31 -57.41 5.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.218 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.73 -28.46 69.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.222 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 75' ' ' HIS . 16.8 p -66.77 -55.91 12.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.369 . . . . 0.0 110.795 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.498 HD11 ' HA ' ' A' ' 44' ' ' ALA . 41.3 mt -53.47 -32.95 52.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.33 -38.46 89.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.4 ' HE3' ' HA ' ' A' ' 105' ' ' ASN . 47.1 mtm -69.91 -30.42 67.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.427 ' CB ' ' HB3' ' A' ' 40' ' ' ARG . . . -80.26 -35.46 35.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -92.51 40.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.902 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.74 ' HE1' HG23 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -130.2 -41.24 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -44.78 -28.89 0.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.803 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.68 ' HB2' HG22 ' A' ' 91' ' ' THR . 0.1 OUTLIER -85.62 53.33 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.784 0.326 . . . . 0.0 110.836 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.7 -32.44 69.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 0.0 110.661 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.45 -57.01 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.736 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.0 mtm -62.25 -61.41 2.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.799 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.68 HG22 ' HB2' ' A' ' 87' ' ' HIS . 3.6 t -111.74 147.37 35.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.787 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.77 80.0 0.9 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.259 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.401 ' HB2' ' HA ' ' A' ' 85' ' ' MET . . . -55.47 -71.64 0.08 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.807 0.337 . . . . 0.0 111.344 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.457 ' N ' ' HE3' ' A' ' 85' ' ' MET . 0.1 OUTLIER 179.67 -164.51 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -110.32 77.99 0.23 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.427 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.74 HG23 ' HE1' ' A' ' 85' ' ' MET . 27.0 pt -96.9 -170.26 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.756 0.312 . . . . 0.0 111.153 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.443 ' HB2' ' CD ' ' A' ' 98' ' ' PRO . 1.6 p-10 -47.25 171.08 0.08 OUTLIER Pre-proline 0 C--N 1.332 -0.174 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.694 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.443 ' CD ' ' HB2' ' A' ' 97' ' ' ASN . 22.5 Cg_exo -65.5 54.85 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.623 2.215 . . . . 0.0 112.96 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 97' ' ' ASN . . . 69.28 118.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.044 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.483 ' HE1' ' HA ' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -89.66 165.37 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 179.466 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.61 HD13 ' HE1' ' A' ' 103' ' ' HIS . 0.6 OUTLIER -63.65 128.14 92.34 Favored Pre-proline 0 C--N 1.329 -0.283 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.582 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.704 ' O ' HD11 ' A' ' 36' ' ' LEU . 31.5 Cg_exo -59.86 -8.64 8.05 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.919 2.413 . . . . 0.0 113.929 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.61 ' HE1' HD13 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -98.82 -9.05 24.87 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.667 -179.738 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -64.2 -52.56 58.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.848 0.356 . . . . 0.0 110.734 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.414 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 10.7 p30 -64.01 -33.8 76.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 38.7 t -55.74 -67.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.324 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -52.61 -39.1 61.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.972 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.448 ' CG ' HG22 ' A' ' 79' ' ' THR . 1.2 t0 -70.04 -30.91 68.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.958 ' HG2' HG12 ' A' ' 39' ' ' VAL . 22.7 tpp -59.77 -58.53 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.15 0.5 . . . . 0.0 110.409 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.403 ' O ' HG22 ' A' ' 113' ' ' ILE . 3.0 mtp180 -55.09 -27.66 46.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.598 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.7 -41.03 80.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.052 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.88 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -67.46 -49.82 61.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.742 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.413 ' HB ' HD23 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -62.69 -25.83 39.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.796 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 87.6 m -61.49 -40.5 94.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.029 0.442 . . . . 0.0 110.029 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -85.03 -40.67 16.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.397 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.482 ' CD1' HD13 ' A' ' 72' ' ' LEU . 43.4 m95 -64.85 -47.26 78.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.586 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.4 m -57.03 -50.33 73.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.341 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -58.19 -29.84 65.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.239 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.468 ' HG3' HD13 ' A' ' 123' ' ' LEU . 12.9 ttm -69.09 -44.18 73.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.433 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -48.99 -39.53 27.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.801 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.444 ' OE2' HD13 ' A' ' 133' ' ' ILE . 75.8 mt-10 -82.77 -41.96 18.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.819 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.73 -60.02 3.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.1 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.744 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.1 tp -51.32 -45.69 62.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -62.91 -41.4 99.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.803 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -68.9 -48.33 63.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.72 -49.8 76.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.429 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 11.8 ttm -52.56 -34.26 49.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 129.04 46.32 0.18 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.588 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 130' ' ' HIS . 22.2 mt -130.03 159.65 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.477 ' N ' HG22 ' A' ' 129' ' ' ILE . 2.2 t-80 -130.15 129.75 43.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -135.46 152.0 50.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -137.33 84.18 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.444 HD13 ' OE2' ' A' ' 121' ' ' GLU . 3.9 mp . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.817 0.341 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -109.87 174.98 5.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.086 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.666 HG23 ' CD2' ' A' ' 36' ' ' LEU . 2.5 m -57.38 178.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.265 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.467 ' O ' HD23 ' A' ' 36' ' ' LEU . 1.4 p -83.34 162.69 21.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.956 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -60.9 -42.03 97.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.424 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 t -66.66 -23.78 66.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.486 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -40.13 47.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.615 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.666 ' CD2' HG23 ' A' ' 31' ' ' VAL . 4.3 mm? -52.9 -46.07 67.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.109 0.48 . . . . 0.0 109.913 179.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 pp -81.25 -25.65 36.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.584 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.4 t -59.32 -39.69 83.91 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.989 0.423 . . . . 0.0 110.549 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.402 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 38.6 t -78.16 -34.31 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.906 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.63 ' HA ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -68.2 -28.43 67.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.422 179.647 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -72.67 -37.86 67.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.667 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 2.0 pp0? -79.63 -30.58 41.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.046 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.866 ' CD1' HG23 ' A' ' 76' ' ' THR . 0.3 OUTLIER -77.79 -67.68 0.7 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.822 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 1.15 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -45.25 -48.19 12.82 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.794 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -53.85 -57.64 10.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.121 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.9 m -62.72 -27.52 69.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.553 ' HB1' ' CE1' ' A' ' 73' ' ' TYR . . . -71.16 64.72 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.203 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.476 ' N ' ' CZ3' ' A' ' 116' ' ' TRP . . . 179.7 109.6 0.26 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.787 HD23 ' CE2' ' A' ' 69' ' ' TYR . 2.9 mm? -60.35 146.89 83.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.565 0.221 . . . . 0.0 110.585 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -60.99 -82.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.491 2.127 . . . . 0.0 112.388 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -148.25 -67.9 0.23 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.755 0.312 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -58.82 -35.54 73.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.99 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.561 ' HB3' HD12 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -57.88 -38.0 74.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.003 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.684 ' HA ' HG12 ' A' ' 57' ' ' VAL . 29.6 t-80 -80.26 -33.98 37.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.034 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.53 -18.57 53.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.425 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.405 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 1.2 t80 -98.83 -49.27 4.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.72 0.295 . . . . 0.0 111.113 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.969 HG23 HD12 ' A' ' 65' ' ' LEU . 14.5 p -65.88 -9.99 9.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.5 p -123.97 -37.81 2.55 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.55 -9.84 39.75 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -130.19 -64.04 0.87 Allowed 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.744 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.96 149.96 0.32 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.05 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.28 160.3 45.31 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.763 2.309 . . . . 0.0 112.512 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.91 -28.59 3.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.22 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.1 m -60.8 -47.25 87.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.694 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.969 HD12 HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -77.78 -32.34 52.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.606 179.758 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -62.59 -53.07 60.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 68' ' ' ARG . 28.1 p30 -60.17 -31.74 70.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.91 0.386 . . . . 0.0 110.203 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.454 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 1.1 ttt180 -66.48 -30.78 71.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.177 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.787 ' CE2' HD23 ' A' ' 49' ' ' LEU . 7.6 t80 -60.05 -57.12 14.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.76 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -74.11 -29.05 61.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.05 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -61.01 -60.98 2.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.802 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -58.14 -36.68 73.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.802 ' N ' HD12 ' A' ' 72' ' ' LEU . 8.0 t80 -74.79 -31.7 61.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.49 -41.95 63.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.983 0.42 . . . . 0.0 110.508 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -75.26 -31.68 60.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.427 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.866 HG23 ' CD1' ' A' ' 43' ' ' LEU . 52.7 m -64.71 -42.15 95.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.953 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -62.5 -51.81 65.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.382 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.403 ' HD2' HG23 ' A' ' 79' ' ' THR . 0.0 OUTLIER -66.57 -35.07 79.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.64 -179.382 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.557 HG22 ' CB ' ' A' ' 108' ' ' ASP . 1.1 p -59.36 -55.76 30.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.704 0.287 . . . . 0.0 111.169 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 1.15 HD13 ' HB2' ' A' ' 44' ' ' ALA . 19.6 mt -55.97 -34.67 65.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -57.18 -33.1 67.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.513 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.46 ' HB3' ' HE3' ' A' ' 100' ' ' MET . 22.1 mtp -77.73 -27.25 50.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.571 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.429 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . . . -81.86 -38.62 25.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.805 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -92.54 45.65 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.678 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.664 ' CE ' HD11 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -130.06 -41.85 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.15 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -48.35 -27.73 2.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.348 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.724 ' HB2' HG22 ' A' ' 91' ' ' THR . 1.2 m80 -81.2 60.05 4.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.78 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.57 -30.0 68.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.018 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -81.11 -56.21 4.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.993 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 4.2 mtm -57.66 -64.44 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.047 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.724 HG22 ' HB2' ' A' ' 87' ' ' HIS . 3.1 t -109.31 152.8 24.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.97 70.26 1.1 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.399 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.401 ' CB ' ' HA ' ' A' ' 85' ' ' MET . . . -59.4 -65.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 111.163 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.78 -165.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -135.4 69.06 0.53 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.656 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.664 HD11 ' CE ' ' A' ' 85' ' ' MET . 20.2 pt -132.26 164.5 34.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.959 0.409 . . . . 0.0 111.178 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -52.77 169.71 0.27 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.941 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 99' ' ' GLY . 6.1 Cg_endo -86.78 28.35 0.54 Allowed 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 123.172 2.582 . . . . 0.0 112.364 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 98' ' ' PRO . . . -20.64 -53.15 0.01 OUTLIER Glycine 0 C--N 1.337 0.625 0 CA-C-N 116.09 -0.505 . . . . 0.0 114.267 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.566 ' HE1' ' O ' ' A' ' 101' ' ' LEU . 2.1 ppp? -101.26 149.84 23.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.849 0.357 . . . . 0.0 111.448 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.566 ' O ' ' HE1' ' A' ' 100' ' ' MET . 47.3 mt -93.16 141.89 24.62 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.812 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.594 ' O ' HD11 ' A' ' 36' ' ' LEU . 75.9 Cg_exo -48.56 -15.02 0.41 Allowed 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.984 2.456 . . . . 0.0 114.081 -179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.463 ' O ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -92.72 -8.67 43.22 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.5 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.487 ' HB2' ' HE2' ' A' ' 100' ' ' MET . 7.7 mt-10 -79.61 -46.32 17.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.764 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.439 ' HB3' ' HB2' ' A' ' 82' ' ' MET . 13.0 p30 -62.49 -41.38 98.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.485 HG23 ' N ' ' A' ' 107' ' ' ASP . 11.2 m -59.48 -45.27 93.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.766 0.317 . . . . 0.0 110.933 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.485 ' N ' HG23 ' A' ' 106' ' ' VAL . 0.4 OUTLIER -65.38 -40.8 93.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.532 179.728 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.557 ' CB ' HG22 ' A' ' 79' ' ' THR . 9.4 m-20 -73.92 -26.5 60.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.813 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.538 ' CG ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -66.99 -58.89 4.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.919 0.39 . . . . 0.0 110.563 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.618 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -54.33 -28.67 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.619 179.57 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.1 m -62.66 -37.94 88.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.458 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.603 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -58.7 -42.96 89.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.78 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.4 OUTLIER -61.87 -27.47 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.735 179.73 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 27.7 m -60.98 -42.01 97.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.995 0.426 . . . . 0.0 110.104 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -82.35 -39.84 22.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.485 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.569 ' CZ3' HD22 ' A' ' 49' ' ' LEU . 29.5 m95 -66.57 -48.86 68.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.767 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.2 t -54.52 -46.3 73.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.527 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -59.31 -34.41 72.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.534 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 1.8 ttt -65.98 -36.96 84.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.611 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -54.59 -48.52 72.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.782 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -83.26 -42.33 17.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.975 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.94 -60.26 3.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.313 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.7 HD21 ' HB ' ' A' ' 57' ' ' VAL . 7.3 tp -54.7 -42.63 71.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -60.33 -49.42 77.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 -59.57 -48.6 81.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.28 75.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 12.5 ttm -60.06 -34.07 72.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 134.26 41.88 0.15 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.546 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 130' ' ' HIS . 24.1 mt -127.52 155.3 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.342 . . . . 0.0 111.1 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.419 ' N ' HG22 ' A' ' 129' ' ' ILE . 22.9 m170 -141.75 126.02 17.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -79.0 147.45 32.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -144.21 89.52 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.109 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.844 0.354 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -66.97 146.55 54.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.663 HG23 ' CD2' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -55.54 156.05 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.005 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.1 p -58.02 149.42 23.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.194 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.85 -35.92 64.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.815 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.72 -26.63 64.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.478 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.564 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 2.3 tp-100 -72.13 -46.06 58.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.743 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.663 ' CD2' HG23 ' A' ' 31' ' ' VAL . 3.8 mm? -52.87 -46.41 67.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.195 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.404 HD12 ' HD2' ' A' ' 41' ' ' HIS . 3.6 pp -81.39 -24.9 36.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.979 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.564 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 0.6 OUTLIER -59.48 -46.24 89.38 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.795 0.331 . . . . 0.0 110.945 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.45 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . 35.6 t -74.18 -37.57 46.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.501 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -64.82 -26.53 68.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.454 179.807 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.457 ' CE1' ' NH1' ' A' ' 40' ' ' ARG . 23.7 m-70 -73.5 -36.87 65.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.34 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.45 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 5.9 pt20 -79.51 -31.95 42.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.757 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.917 ' CD1' HG23 ' A' ' 76' ' ' THR . 0.2 OUTLIER -77.64 -66.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.932 -179.787 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.972 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -46.41 -40.86 12.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.49 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -57.68 -57.98 10.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.85 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 31.9 t -65.01 -30.07 71.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.65 ' HB1' ' CE1' ' A' ' 73' ' ' TYR . . . -72.32 68.44 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.6 145.45 6.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.899 HD12 ' HB3' ' A' ' 53' ' ' GLN . 3.2 mm? -105.1 134.12 19.81 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.597 0.237 . . . . 0.0 110.832 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.64 -78.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.421 2.08 . . . . 0.0 112.342 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -148.12 -67.07 0.24 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.842 0.353 . . . . 0.0 111.126 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.29 -35.15 76.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.899 ' HB3' HD12 ' A' ' 49' ' ' LEU . 57.1 mt-30 -58.26 -41.32 83.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.038 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.565 ' HA ' HG12 ' A' ' 57' ' ' VAL . 24.0 t-80 -79.71 -46.96 16.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -54.63 -23.1 15.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.275 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.439 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 1.0 OUTLIER -90.12 -52.42 4.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.99 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.973 HG23 HD12 ' A' ' 65' ' ' LEU . 13.7 p -68.52 -9.83 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.4 p -121.12 -38.9 2.75 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.07 -9.9 35.18 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -128.25 -62.37 1.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.758 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.71 149.95 0.38 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.936 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.99 160.25 48.11 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.779 2.319 . . . . 0.0 112.451 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -49.46 -32.45 12.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.4 m -60.45 -45.07 95.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.732 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.973 HD12 HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -67.87 -34.41 76.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.684 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -70.31 -32.91 70.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.812 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -59.56 -48.22 82.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.813 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -73.79 -25.7 60.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.405 ' OH ' HD23 ' A' ' 49' ' ' LEU . 51.5 t80 -54.75 -62.1 1.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.146 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -70.15 -29.79 66.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.254 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -58.05 -63.89 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.245 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.835 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -54.0 -39.11 65.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.298 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.835 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.0 t80 -74.77 -28.66 60.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.229 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.0 p -52.13 -51.68 56.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.956 0.408 . . . . 0.0 110.557 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.901 ' O ' HG23 ' A' ' 79' ' ' THR . 0.0 OUTLIER -66.18 -37.23 85.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.433 179.5 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.917 HG23 ' CD1' ' A' ' 43' ' ' LEU . 87.9 m -56.05 -48.06 76.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.973 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -60.0 -31.05 69.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -86.19 -32.33 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.981 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.901 HG23 ' O ' ' A' ' 75' ' ' HIS . 81.2 p -62.07 -52.09 65.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.157 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.972 HD13 ' HB2' ' A' ' 44' ' ' ALA . 20.7 mt -62.0 -29.01 69.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.822 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -60.07 4.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.787 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 53.8 mtm -56.37 -26.82 54.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.849 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.628 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . . . -71.03 -54.27 11.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.496 ' O ' HG21 ' A' ' 91' ' ' THR . 1.3 t70 -81.74 49.96 1.43 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.251 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.67 ' HG3' HG21 ' A' ' 96' ' ' ILE . 0.8 OUTLIER -130.55 -47.67 1.06 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.924 0.392 . . . . 0.0 111.041 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 88' ' ' ARG . 2.9 tt0 -61.18 -16.63 46.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.917 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.975 ' HB2' HG22 ' A' ' 91' ' ' THR . 53.4 m80 -66.08 71.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.828 0.347 . . . . 0.0 111.254 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 86' ' ' GLN . 19.2 mtm-85 -55.78 -22.38 24.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.207 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -100.07 -31.32 11.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.808 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.423 ' CG ' ' HB3' ' A' ' 87' ' ' HIS . 5.2 mmt -91.33 -51.53 5.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.617 0.246 . . . . 0.0 111.568 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.975 HG22 ' HB2' ' A' ' 87' ' ' HIS . 12.1 t -111.16 -165.31 0.98 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.792 0.33 . . . . 0.0 111.088 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.89 101.58 2.74 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.67 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -93.0 34.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.721 0.296 . . . . 0.0 111.402 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 96' ' ' ILE . 22.6 p -99.61 -114.48 0.16 Allowed 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.657 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.42 75.93 0.04 OUTLIER Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.429 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.67 HG21 ' HG3' ' A' ' 85' ' ' MET . 10.2 pt -116.02 -175.23 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.821 0.343 . . . . 0.0 111.185 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.49 167.68 0.17 Allowed Pre-proline 0 C--N 1.332 -0.156 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.959 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -69.49 53.63 1.01 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.743 2.295 . . . . 0.0 112.572 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 43.91 84.12 0.02 OUTLIER Glycine 0 C--N 1.333 0.41 0 C-N-CA 121.138 -0.553 . . . . 0.0 113.251 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.73 179.98 6.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.69 0.281 . . . . 0.0 110.619 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 10.8 mt -59.89 133.22 89.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.604 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 101' ' ' LEU . 47.8 Cg_exo -56.48 -23.92 50.18 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.554 2.169 . . . . 0.0 112.889 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.493 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -104.54 -8.79 18.78 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.365 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -51.93 -29.89 22.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.874 0.369 . . . . 0.0 111.069 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.66 ' OD1' HG13 ' A' ' 106' ' ' VAL . 6.4 p30 -79.13 -53.73 6.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.383 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.66 HG13 ' OD1' ' A' ' 105' ' ' ASN . 35.5 m -63.62 -46.24 95.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.444 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.496 ' N ' HG23 ' A' ' 106' ' ' VAL . 0.3 OUTLIER -59.1 -55.59 33.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.874 0.368 . . . . 0.0 110.877 -179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.637 ' OD2' HG22 ' A' ' 79' ' ' THR . 1.2 t70 -62.66 -26.08 68.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -50.25 70.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.888 0.375 . . . . 0.0 110.631 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.563 ' O ' HG22 ' A' ' 113' ' ' ILE . 5.6 mtp180 -57.99 -29.54 65.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.618 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.1 m -63.75 -38.8 92.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.746 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.782 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -59.2 -45.43 91.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.035 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.563 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.5 OUTLIER -63.03 -26.53 41.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.911 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 34.5 m -60.21 -40.98 92.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.028 0.442 . . . . 0.0 110.117 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.31 -41.94 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.411 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.521 ' CD1' HD13 ' A' ' 72' ' ' LEU . 41.1 m95 -63.19 -47.77 81.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.655 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 25.8 t -56.58 -49.62 74.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.456 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -59.55 -31.82 69.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.448 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.2 ttt -72.71 -32.9 66.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.519 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -43.82 74.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.56 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -84.0 -35.91 23.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.869 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.24 -59.99 2.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.15 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.492 ' HA ' HD12 ' A' ' 123' ' ' LEU . 5.6 tp -53.88 -44.72 70.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.071 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.701 ' CB ' HD12 ' A' ' 129' ' ' ILE . 6.2 mt-30 -59.24 -49.9 76.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -58.68 -50.47 73.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.014 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.15 -39.73 93.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.439 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 12.0 ttm -59.13 -33.61 71.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 135.04 39.89 0.17 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.575 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.701 HD12 ' CB ' ' A' ' 124' ' ' GLN . 33.0 mt -122.79 156.43 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.778 0.323 . . . . 0.0 111.036 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.445 ' N ' HG22 ' A' ' 129' ' ' ILE . 0.0 OUTLIER -129.5 136.04 49.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.931 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -99.67 152.22 20.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -144.83 89.89 2.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.106 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.787 0.327 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -88.11 -177.4 5.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.843 HG23 HD22 ' A' ' 36' ' ' LEU . 3.6 m -84.79 151.14 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.032 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.514 HG23 ' H ' ' A' ' 35' ' ' GLN . 12.4 t -59.23 160.6 6.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.298 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.1 m -60.5 -29.64 69.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.6 m -67.9 -36.07 79.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.64 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.539 ' OE1' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -77.47 -33.44 54.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.639 179.764 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.843 HD22 HG23 ' A' ' 31' ' ' VAL . 3.3 mm? -52.89 -48.46 67.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.207 0.527 . . . . 0.0 109.909 179.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 pp -81.12 -21.84 39.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.477 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.0 t -58.76 -42.93 90.06 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 120.888 0.375 . . . . 0.0 110.76 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.539 HG23 ' OE1' ' A' ' 35' ' ' GLN . 22.9 t -77.56 -43.12 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.562 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -61.53 -25.15 67.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.518 179.801 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -78.16 -34.38 49.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.827 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -27.95 26.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.806 ' CD1' HG23 ' A' ' 76' ' ' THR . 1.3 tm? -80.59 -54.83 5.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.942 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.675 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -56.7 -50.21 72.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.147 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.83 -44.38 82.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.823 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 t -75.66 -23.23 56.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.535 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -69.94 68.0 0.29 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.019 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.417 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 171.85 173.81 38.93 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.446 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.8 mt -111.02 158.01 37.07 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.594 0.235 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -66.91 -77.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.575 2.183 . . . . 0.0 112.48 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.59 -76.46 0.16 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.87 0.367 . . . . 0.0 111.338 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.68 -40.73 80.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.316 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -27.59 26.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.229 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.635 ' HA ' HG12 ' A' ' 57' ' ' VAL . 18.8 t-80 -86.5 -40.82 14.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.881 0.372 . . . . 0.0 111.009 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -16.71 51.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.437 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -98.09 -35.09 10.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.465 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.882 HG23 HD12 ' A' ' 65' ' ' LEU . 14.8 p -79.06 -9.96 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -123.13 -41.95 2.3 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.94 -9.78 54.83 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -130.89 -61.03 0.95 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.13 149.9 0.66 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.947 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.38 160.33 35.69 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.916 2.41 . . . . 0.0 112.484 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.42 -30.39 5.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.02 -44.93 96.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.472 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.882 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -70.72 -33.59 71.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.503 179.708 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -74.92 -33.02 61.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.767 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -58.74 -46.02 88.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.937 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -73.32 -33.39 65.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -59.69 -55.3 36.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -70.01 -29.98 67.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.025 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -64.97 -57.7 8.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.041 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.798 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.4 pp -59.34 -31.69 69.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.798 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.0 t80 -79.23 -30.35 43.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.148 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 m -54.55 -54.01 46.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.969 0.414 . . . . 0.0 110.58 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.885 ' O ' HG23 ' A' ' 79' ' ' THR . 40.0 m170 -63.88 -37.52 87.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.442 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.806 HG23 ' CD1' ' A' ' 43' ' ' LEU . 85.8 m -56.23 -43.42 78.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.798 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.43 -36.3 75.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.687 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.66 -36.29 26.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.755 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.885 HG23 ' O ' ' A' ' 75' ' ' HIS . 60.1 p -56.34 -47.76 78.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.675 HD13 ' HB2' ' A' ' 44' ' ' ALA . 5.3 mt -67.81 -37.08 81.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.74 -44.96 70.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.6 mtp -66.69 -27.71 67.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.747 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.01 -60.88 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.53 ' O ' HG21 ' A' ' 91' ' ' THR . 2.6 p30 -82.63 56.62 3.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.414 ' CA ' HG21 ' A' ' 91' ' ' THR . 2.1 tpp -130.21 -48.67 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -55.46 -23.34 24.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.792 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.705 ' HB2' HG22 ' A' ' 91' ' ' THR . 16.5 m80 -67.56 71.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.003 0.43 . . . . 0.0 111.053 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -50.25 -25.06 3.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.689 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -90.45 -41.94 11.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.635 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.407 ' HB2' ' HB3' ' A' ' 87' ' ' HIS . 4.7 mtm -82.0 -53.46 6.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.646 -179.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.705 HG22 ' HB2' ' A' ' 87' ' ' HIS . 11.6 t -106.78 -169.47 1.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 0.0 111.11 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.98 98.87 2.34 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.636 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -94.08 34.53 1.24 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.713 0.292 . . . . 0.0 111.266 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 96' ' ' ILE . 15.1 p -99.58 -114.25 0.17 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.785 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.23 78.23 0.01 OUTLIER Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.665 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 94' ' ' SER . 33.2 pt -117.44 -175.1 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.805 0.336 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -51.74 166.74 0.36 Allowed Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.61 56.91 0.98 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.761 2.307 . . . . 0.0 112.358 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 71.77 124.19 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.49 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.52 ' HE3' ' O ' ' A' ' 101' ' ' LEU . 0.2 OUTLIER -133.1 166.55 22.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 0.0 110.81 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.52 ' O ' ' HE3' ' A' ' 100' ' ' MET . 1.1 mt -96.76 135.59 22.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.685 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.425 ' O ' HD11 ' A' ' 36' ' ' LEU . 42.9 Cg_exo -56.59 -23.35 48.04 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.456 2.104 . . . . 0.0 112.686 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.479 ' HE1' HD13 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -91.94 -8.85 45.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.643 -179.652 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -72.13 -29.69 64.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.936 0.398 . . . . 0.0 110.434 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.523 ' OD1' HG13 ' A' ' 106' ' ' VAL . 8.6 p30 -78.4 -47.55 17.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.077 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.523 HG13 ' OD1' ' A' ' 105' ' ' ASN . 22.1 m -58.4 -44.12 87.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.258 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.475 ' N ' HG23 ' A' ' 106' ' ' VAL . 66.1 m-20 -59.95 -50.91 71.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.749 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.578 ' HB3' HG22 ' A' ' 79' ' ' THR . 13.1 m-20 -66.09 -29.28 69.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -48.67 77.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.611 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.445 ' O ' HG22 ' A' ' 113' ' ' ILE . 7.5 mtp180 -57.19 -32.88 66.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.682 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.2 m -60.18 -38.69 83.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.738 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.64 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -60.02 -42.46 94.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.215 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.8 OUTLIER -63.68 -31.8 54.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.353 -179.675 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 110' ' ' ARG . 15.8 p -57.49 -51.81 67.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.021 0.439 . . . . 0.0 110.351 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -71.93 -47.13 54.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.729 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.482 ' CD1' HD13 ' A' ' 72' ' ' LEU . 53.9 m95 -60.27 -54.3 47.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.4 m -54.03 -47.25 71.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.025 0.44 . . . . 0.0 110.58 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -60.41 -32.69 71.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.547 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.4 ttt -73.17 -35.64 66.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.661 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -44.28 63.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.668 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -80.86 -38.81 27.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.047 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.38 -58.68 4.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.196 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.556 HD21 ' HB ' ' A' ' 57' ' ' VAL . 4.9 tp -50.98 -43.74 60.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.574 ' O ' HD12 ' A' ' 129' ' ' ILE . 0.6 OUTLIER -58.37 -40.76 83.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.776 179.872 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -64.91 -54.86 24.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.53 -29.37 69.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 16.5 ttm -64.07 -33.88 76.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 130.88 36.04 0.37 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.799 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.574 HD12 ' O ' ' A' ' 124' ' ' GLN . 2.2 mp -132.82 159.54 43.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.765 0.316 . . . . 0.0 111.017 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.496 ' N ' HG22 ' A' ' 129' ' ' ILE . 1.7 t-80 -133.39 132.83 41.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -95.98 144.31 26.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.07 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -140.81 87.41 2.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.113 179.902 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.459 0 CA-C-O 120.78 0.324 . . . . 0.0 111.258 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -142.46 134.89 27.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.977 HG23 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -46.7 170.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.288 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.447 HG22 ' H ' ' A' ' 34' ' ' SER . 5.0 m -57.6 127.19 30.78 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.709 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 p -47.43 -35.27 8.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.287 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.447 ' H ' HG22 ' A' ' 32' ' ' THR . 1.7 m -70.35 -32.84 70.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.434 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.418 ' HA ' ' HB3' ' A' ' 38' ' ' SER . 0.1 OUTLIER -65.7 -43.42 89.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.538 179.705 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.977 HD21 HG23 ' A' ' 31' ' ' VAL . 4.3 mm? -53.01 -50.61 63.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.09 179.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.663 HD12 ' HD2' ' A' ' 41' ' ' HIS . 1.4 pp -81.39 -17.5 48.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.198 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.418 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 34.1 t -67.93 -31.87 71.93 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.743 0.306 . . . . 0.0 111.173 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.435 ' HB ' ' HG2' ' A' ' 109' ' ' MET . 6.0 m -88.32 -37.04 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.334 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.516 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -63.53 -24.76 67.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.954 0.406 . . . . 0.0 110.404 179.492 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.663 ' HD2' HD12 ' A' ' 37' ' ' LEU . 38.7 m-70 -84.19 -36.26 22.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.452 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -30.42 30.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.744 ' CD1' HG23 ' A' ' 76' ' ' THR . 0.5 OUTLIER -78.49 -58.68 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.998 -179.651 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.512 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -53.42 -43.04 67.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.359 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -57.38 -47.5 81.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.994 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.407 ' CB ' HD11 ' A' ' 113' ' ' ILE . 2.8 m -74.64 -25.92 59.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.034 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.506 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -68.96 73.65 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.066 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.412 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 162.95 118.87 0.47 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.582 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.736 HD13 ' HB3' ' A' ' 53' ' ' GLN . 22.9 mt -65.67 149.35 97.46 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.676 0.274 . . . . 0.0 110.829 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.09 -82.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.553 2.169 . . . . 0.0 112.446 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.09 -68.45 0.23 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.772 0.32 . . . . 0.0 110.994 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -32.27 71.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.731 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.736 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -62.85 -36.23 82.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.601 ' HA ' HG12 ' A' ' 57' ' ' VAL . 22.8 t-80 -84.19 -39.11 19.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -54.55 -22.52 13.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.431 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.41 ' CE2' ' HG ' ' A' ' 123' ' ' LEU . 1.2 t80 -93.88 -54.41 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.759 0.314 . . . . 0.0 111.214 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.955 HG23 HD12 ' A' ' 65' ' ' LEU . 12.3 p -65.14 -9.96 8.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.445 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 2.1 m -121.94 -28.99 4.35 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.41 -9.83 16.56 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -179.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -127.15 -62.15 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.704 0.288 . . . . 0.0 111.706 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.68 149.96 0.37 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.001 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.91 160.29 46.29 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.813 2.342 . . . . 0.0 112.56 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.404 ' HA ' ' CD ' ' A' ' 66' ' ' ARG . 0.7 OUTLIER -48.85 -29.0 4.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.353 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -59.88 -47.25 86.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.816 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.955 HD12 HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -77.31 -32.01 55.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.719 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.404 ' CD ' ' HA ' ' A' ' 63' ' ' GLN . 9.0 mtt180 -62.28 -53.12 59.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 68' ' ' ARG . 28.4 p30 -60.01 -31.89 70.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.894 0.378 . . . . 0.0 110.233 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.442 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 0.5 OUTLIER -66.43 -30.99 71.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.172 179.07 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -59.76 -65.18 0.72 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.922 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -57.94 -25.56 61.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.272 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -58.37 -68.22 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.249 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.848 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.5 pp -56.57 -36.56 69.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.136 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.848 ' N ' HD12 ' A' ' 72' ' ' LEU . 3.9 t80 -71.84 -29.9 64.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.0 -48.33 73.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.968 0.414 . . . . 0.0 110.511 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -73.14 -21.58 60.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.729 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.744 HG23 ' CD1' ' A' ' 43' ' ' LEU . 19.8 m -76.39 -36.77 57.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.084 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -75.29 -22.7 57.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.373 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.32 -26.85 15.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.506 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.58 HG22 ' HA ' ' A' ' 76' ' ' THR . 11.5 t -75.24 -42.32 55.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.344 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.584 HD21 ' HB3' ' A' ' 43' ' ' LEU . 20.3 mt -57.04 -35.35 69.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.116 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.71 -43.45 98.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.3 mtm -61.39 -21.26 63.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.209 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.702 ' HB2' ' CE ' ' A' ' 109' ' ' MET . . . -76.1 -40.09 53.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.763 0.316 . . . . 0.0 111.157 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.44 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 2.0 t0 -86.97 43.74 1.12 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.322 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 28.7 mtp -130.55 -44.78 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.992 0.425 . . . . 0.0 111.038 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.403 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 10.4 tp-100 -52.43 -27.37 15.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.218 -179.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.579 ' HB2' HG22 ' A' ' 91' ' ' THR . 11.6 m80 -67.27 71.38 0.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.94 0.4 . . . . 0.0 111.248 -179.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.516 ' HA ' ' HB2' ' A' ' 93' ' ' ALA . 5.9 mtm-85 -48.06 -24.63 1.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.941 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -99.24 -51.83 3.7 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.462 ' HB2' ' HB3' ' A' ' 87' ' ' HIS . 0.2 OUTLIER -69.07 -34.41 75.1 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -179.14 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.579 HG22 ' HB2' ' A' ' 87' ' ' HIS . 7.3 t -119.73 -173.0 2.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.839 0.352 . . . . 0.0 111.143 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -95.01 102.29 2.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.754 . . . . 0.0 113.078 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.516 ' HB2' ' HA ' ' A' ' 88' ' ' ARG . . . -97.34 34.44 1.79 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.869 0.366 . . . . 0.0 110.972 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 96' ' ' ILE . 20.4 p -99.42 -114.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.774 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.23 78.26 0.01 OUTLIER Glycine 0 C--N 1.335 0.513 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.662 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 94' ' ' SER . 20.5 pt -123.38 -175.61 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.863 0.363 . . . . 0.0 111.13 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.75 166.27 0.31 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.02 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -71.65 56.87 2.36 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.801 2.334 . . . . 0.0 112.207 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.54 125.2 0.61 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.624 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.407 ' HG2' ' N ' ' A' ' 101' ' ' LEU . 6.2 ttp -131.41 143.16 50.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 110.774 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.407 ' N ' ' HG2' ' A' ' 100' ' ' MET . 14.7 mt -70.47 151.97 95.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.477 ' HB2' HG22 ' A' ' 31' ' ' VAL . 59.4 Cg_endo -72.36 -39.32 2.92 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.667 2.244 . . . . 0.0 112.801 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.36 -8.83 59.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.709 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.4 ' CG ' ' HB2' ' A' ' 101' ' ' LEU . 1.6 mm-40 -52.15 -58.01 7.87 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.933 0.397 . . . . 0.0 110.789 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -60.2 -46.44 89.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.707 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.43 -44.37 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.223 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -56.78 -55.06 39.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.804 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.9 -22.8 64.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.702 ' CE ' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -58.41 -66.07 0.55 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.845 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.444 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -56.82 -30.32 63.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.866 179.842 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.5 t -58.44 -36.25 73.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.66 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.632 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -66.61 -47.54 72.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.727 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.444 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.4 OUTLIER -62.89 -28.33 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.619 179.626 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.7 m -59.69 -38.86 82.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.266 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.507 ' HB3' HD22 ' A' ' 72' ' ' LEU . 3.6 t0 -87.16 -42.04 13.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.324 179.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.412 ' CH2' ' HA2' ' A' ' 48' ' ' GLY . 56.2 m95 -62.21 -49.77 74.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.488 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.4 t -58.17 -49.73 76.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.366 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -60.75 -32.62 71.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.431 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.61 ' HG2' HD22 ' A' ' 123' ' ' LEU . 3.3 ttt -65.37 -43.98 89.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.682 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -52.27 -39.77 60.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.816 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -83.05 -34.91 26.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.63 -59.38 2.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.664 HD21 ' HB ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER -52.73 -44.12 66.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.977 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -57.9 -36.29 72.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -74.12 -45.72 47.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.84 81.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.078 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 11.8 ttm -60.14 -49.38 77.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 157.65 42.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.534 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 130' ' ' HIS . 37.2 mt -132.93 158.79 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.121 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.489 ' N ' HG22 ' A' ' 129' ' ' ILE . 1.8 t-80 -110.65 127.98 55.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -70.38 155.05 41.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.695 ' O ' HD12 ' A' ' 133' ' ' ILE . 13.8 m-20 -149.81 79.9 1.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.784 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.695 HD12 ' O ' ' A' ' 132' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.017 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.85 0.357 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.4 ' ND2' ' CD2' ' A' ' 103' ' ' HIS . 23.2 m120 -84.61 -173.1 4.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.88 HG23 HD22 ' A' ' 36' ' ' LEU . 1.6 m -104.35 179.67 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.723 HG23 ' H ' ' A' ' 35' ' ' GLN . 4.9 t -78.5 168.91 19.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.114 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.34 -37.89 89.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.801 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.3 m -65.88 -39.82 91.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.594 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.723 ' H ' HG23 ' A' ' 32' ' ' THR . 0.5 OUTLIER -68.08 -38.03 81.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.56 179.701 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.88 HD22 HG23 ' A' ' 31' ' ' VAL . 2.0 mm? -52.98 -51.03 62.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.187 0.518 . . . . 0.0 110.082 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.489 ' C ' HD12 ' A' ' 37' ' ' LEU . 3.2 pp -80.98 -15.51 56.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.967 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.411 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 31.3 t -71.13 -27.59 63.68 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-O 120.828 0.347 . . . . 0.0 110.699 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 35' ' ' GLN . 14.4 t -88.05 -37.75 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.773 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.488 ' HB3' ' HE3' ' A' ' 109' ' ' MET . 0.0 OUTLIER -69.69 -28.89 66.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.301 179.476 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -75.79 -36.54 59.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.324 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.0 -31.07 31.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.815 HD11 HG23 ' A' ' 76' ' ' THR . 2.0 tm? -78.48 -57.22 3.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.548 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -54.41 -39.55 67.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.231 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.04 -49.91 76.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.37 -28.53 64.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.493 ' HB1' ' CE1' ' A' ' 73' ' ' TYR . . . -67.15 75.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.111 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.446 ' N ' ' CZ3' ' A' ' 116' ' ' TRP . . . 162.97 128.17 0.93 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.544 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.434 HD13 ' HB3' ' A' ' 53' ' ' GLN . 74.5 mt -71.8 146.12 90.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.645 0.259 . . . . 0.0 110.862 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.72 -79.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.631 2.221 . . . . 0.0 112.51 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.09 -73.11 0.2 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.754 0.312 . . . . 0.0 110.973 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.43 -30.75 67.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.434 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -61.9 -30.57 70.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.429 ' HA ' HG12 ' A' ' 57' ' ' VAL . 28.9 t-80 -85.57 -37.61 19.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -60.21 -18.43 48.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.451 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.429 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 0.7 OUTLIER -94.71 -55.98 2.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.724 0.297 . . . . 0.0 111.096 -179.713 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.962 HG23 HD12 ' A' ' 65' ' ' LEU . 10.5 p -63.89 -10.43 7.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.7 p -120.72 -41.33 2.58 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.9 -9.81 41.87 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -126.9 -63.64 1.05 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.697 0.284 . . . . 0.0 111.658 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.48 150.01 0.55 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.852 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.8 160.24 48.47 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.693 2.262 . . . . 0.0 112.312 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.48 -30.25 7.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.8 m -62.17 -46.92 86.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.764 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.962 HD12 HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -65.49 -30.73 71.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.726 179.847 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -73.15 -32.94 65.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -59.86 -48.49 81.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -29.07 69.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.958 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -57.41 -62.37 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -68.2 -25.24 65.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -61.95 2.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.999 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.604 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.4 pp -58.96 -31.94 69.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.06 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.604 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.6 t80 -78.85 -31.55 45.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.965 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.4 t -55.12 -41.39 71.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.49 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.608 ' O ' HG23 ' A' ' 79' ' ' THR . 78.7 m-70 -81.2 -23.23 38.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.727 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.815 HG23 HD11 ' A' ' 43' ' ' LEU . 86.0 m -77.69 -40.94 39.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -69.15 -32.28 71.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.258 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -25.63 32.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.17 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 75' ' ' HIS . 8.5 p -77.74 -42.93 32.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.945 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 43' ' ' LEU . 21.3 mt -55.53 -35.85 66.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.791 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.38 -41.21 96.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.579 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 45.9 mtm -57.96 -37.87 74.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.726 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.495 ' HB2' ' CE ' ' A' ' 109' ' ' MET . . . -61.65 -63.24 1.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.613 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.429 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -84.39 53.81 2.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.987 179.753 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -118.9 -48.24 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.461 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.838 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 7.4 mt-30 -64.0 -92.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.965 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.768 ' HB2' HG22 ' A' ' 91' ' ' THR . 28.2 m80 18.99 71.06 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.21 -11.35 20.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.613 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -92.62 -29.82 15.93 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.424 ' HG2' ' HB3' ' A' ' 87' ' ' HIS . 2.8 ptp -116.5 -36.74 3.88 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.768 HG22 ' HB2' ' A' ' 87' ' ' HIS . 3.2 t -112.59 -173.96 2.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.979 0.418 . . . . 0.0 111.376 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.91 99.68 2.46 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.609 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.838 ' HB2' ' O ' ' A' ' 86' ' ' GLN . . . -91.65 34.53 0.98 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.724 0.297 . . . . 0.0 111.315 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 96' ' ' ILE . 11.1 p -99.47 -114.24 0.16 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.687 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -55.2 82.32 0.01 OUTLIER Glycine 0 C--N 1.338 0.644 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.776 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 94' ' ' SER . 24.6 pt -109.52 -179.25 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.042 0.448 . . . . 0.0 111.384 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.522 ' HB2' ' HD2' ' A' ' 98' ' ' PRO . 1.0 OUTLIER -48.02 166.28 0.21 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.535 179.268 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.522 ' HD2' ' HB2' ' A' ' 97' ' ' ASN . 74.3 Cg_endo -83.11 59.05 6.5 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.332 2.021 . . . . 0.0 112.588 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 100.27 125.3 5.48 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.965 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.568 ' HE3' ' O ' ' A' ' 101' ' ' LEU . 2.4 ttp -168.21 141.93 3.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.826 0.346 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.634 HD13 ' CE1' ' A' ' 103' ' ' HIS . 0.9 OUTLIER -83.35 135.55 43.96 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.568 179.681 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.649 ' O ' HD11 ' A' ' 36' ' ' LEU . 61.4 Cg_exo -51.85 -20.63 10.22 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.611 2.208 . . . . 0.0 113.046 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.634 ' CE1' HD13 ' A' ' 101' ' ' LEU . 8.3 p80 -98.56 -8.87 25.77 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.555 ' CG ' HD12 ' A' ' 101' ' ' LEU . 2.1 mt-10 -60.05 -28.24 67.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.929 0.395 . . . . 0.0 110.768 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.449 ' OD1' HG13 ' A' ' 106' ' ' VAL . 3.4 p30 -78.94 -52.04 8.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.358 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.476 HG23 ' N ' ' A' ' 107' ' ' ASP . 32.5 m -57.83 -45.07 87.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.728 0.299 . . . . 0.0 111.474 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.476 ' N ' HG23 ' A' ' 106' ' ' VAL . 0.3 OUTLIER -62.71 -44.22 96.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.933 0.397 . . . . 0.0 110.761 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.495 ' CG ' HG21 ' A' ' 79' ' ' THR . 1.9 t0 -74.44 -28.27 60.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.495 ' CE ' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -66.97 -60.32 2.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.883 0.373 . . . . 0.0 110.616 179.885 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.504 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -49.62 -34.87 19.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.686 179.69 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.0 m -61.24 -34.61 75.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.452 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.577 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -60.6 -40.39 91.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.718 179.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -63.23 -29.58 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.634 179.736 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 91.2 m -61.09 -38.02 84.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.145 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -84.64 -42.97 14.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.343 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.446 ' CZ3' ' N ' ' A' ' 48' ' ' GLY . 44.7 m95 -63.9 -51.66 63.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.423 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.6 m -54.33 -44.79 72.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.367 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -60.84 -32.87 72.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.363 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.5 ttt -68.41 -37.11 80.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.562 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -54.96 -41.71 71.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.596 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.0 -42.56 17.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.921 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.92 -59.9 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.56 HD21 ' HB ' ' A' ' 57' ' ' VAL . 6.3 tp -53.21 -42.58 66.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -58.74 -49.68 76.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -60.29 -51.41 69.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.23 -35.97 78.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.999 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 30.7 ttm -58.34 -27.8 64.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 132.14 32.98 0.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.621 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 130' ' ' HIS . 24.2 mt -123.06 159.68 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.34 . . . . 0.0 110.996 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.471 ' N ' HG22 ' A' ' 129' ' ' ILE . 39.1 m80 -137.27 123.17 20.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.99 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.29 146.65 50.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.01 87.09 1.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.2 mp . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.104 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.818 0.342 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -124.46 142.06 51.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.974 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.701 HG23 ' CD2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -49.24 173.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.819 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.702 HG23 ' H ' ' A' ' 35' ' ' GLN . 12.0 t -66.45 143.68 56.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.09 -30.72 49.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.264 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -68.9 -33.63 74.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.702 ' H ' HG23 ' A' ' 32' ' ' THR . 17.9 tp60 -69.4 -42.32 75.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.814 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.701 ' CD2' HG23 ' A' ' 31' ' ' VAL . 4.4 mm? -52.92 -49.5 65.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.085 0.469 . . . . 0.0 110.104 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.447 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 2.5 pp -80.99 -16.81 52.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.03 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.41 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 36.7 t -66.88 -28.23 68.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.81 0.338 . . . . 0.0 110.721 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.748 HG11 HG13 ' A' ' 106' ' ' VAL . 6.1 m -90.93 -38.21 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.621 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -65.14 -26.21 68.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.897 0.379 . . . . 0.0 110.112 179.335 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -84.44 -34.66 23.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.497 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -79.8 -35.65 38.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 -179.862 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.85 HD13 HG23 ' A' ' 76' ' ' THR . 0.0 OUTLIER -72.3 -64.44 0.95 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.853 0.358 . . . . 0.0 110.891 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.04 -37.2 20.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.484 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -58.39 -47.88 82.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.597 ' CB ' HD11 ' A' ' 113' ' ' ILE . 0.3 OUTLIER -78.67 -27.85 45.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.998 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 48' ' ' GLY . . . -65.03 -163.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.508 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 33.97 102.51 0.01 OUTLIER Glycine 0 CA--C 1.522 0.528 0 CA-C-N 115.981 -0.554 . . . . 0.0 114.224 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.905 HD22 ' CZ3' ' A' ' 116' ' ' TRP . 2.2 mm? -50.5 163.47 0.46 Allowed Pre-proline 0 N--CA 1.463 0.214 0 O-C-N 122.842 -0.211 . . . . 0.0 110.599 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.458 ' HD2' HD12 ' A' ' 49' ' ' LEU . 41.8 Cg_endo -69.44 -87.23 0.0 OUTLIER 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.363 2.042 . . . . 0.0 112.537 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.18 -67.77 0.24 Allowed 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.831 0.348 . . . . 0.0 111.123 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -56.17 -37.92 70.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.108 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.428 ' O ' HG12 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -55.08 -25.72 33.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.671 ' HA ' HG12 ' A' ' 57' ' ' VAL . 26.8 t-80 -82.19 -40.81 21.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.874 0.369 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -56.93 -21.24 28.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.497 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -97.44 -50.29 4.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.739 0.304 . . . . 0.0 111.307 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.026 HG23 HD12 ' A' ' 65' ' ' LEU . 13.9 p -65.82 -9.96 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.6 t -122.18 -37.96 2.76 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.41 -9.73 40.6 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -130.64 -63.27 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.863 0.319 . . . . 0.0 111.863 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.479 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -41.62 151.17 0.32 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.12 -179.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.68 160.38 46.52 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.803 2.335 . . . . 0.0 112.549 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -46.12 -42.22 13.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.329 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.93 -35.13 63.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.985 0.422 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.026 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -82.53 -29.22 30.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.791 179.711 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -77.02 -53.08 8.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.51 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -59.73 -35.77 75.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.072 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -72.59 -28.37 62.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.799 0.333 . . . . 0.0 110.77 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.797 ' CE2' HD23 ' A' ' 49' ' ' LEU . 7.3 t80 -56.55 -59.99 4.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -71.34 -28.49 64.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.164 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -58.46 -64.19 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.017 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.812 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.2 pp -55.93 -29.86 60.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.812 ' N ' HD12 ' A' ' 72' ' ' LEU . 8.4 t80 -78.57 -35.7 45.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.4 m -49.15 -43.9 42.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.895 0.379 . . . . 0.0 110.43 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.796 ' O ' HG23 ' A' ' 79' ' ' THR . 2.1 t-160 -73.32 -33.65 65.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.101 179.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.85 HG23 HD13 ' A' ' 43' ' ' LEU . 99.8 m -66.58 -55.37 15.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.629 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.435 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 2.0 mt-30 -50.09 -36.28 28.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.236 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.35 -44.72 24.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 75' ' ' HIS . 41.1 p -55.45 -28.2 52.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.961 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' A' ' 40' ' ' ARG . 18.2 mt -75.2 -32.17 61.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.693 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -64.05 -48.4 76.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.576 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.2 mtp -61.11 -19.14 61.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.875 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.576 ' HB2' ' HE2' ' A' ' 109' ' ' MET . . . -95.31 23.87 5.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.523 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -142.58 22.74 1.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.695 0.283 . . . . 0.0 111.198 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.736 ' HG3' HG22 ' A' ' 96' ' ' ILE . 2.8 tpt -130.39 -34.4 1.6 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -53.05 -23.28 7.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -70.77 71.27 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 111.437 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -67.31 -12.31 59.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.428 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -100.16 -32.89 10.68 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.41 ' HE2' ' HB2' ' A' ' 90' ' ' MET . 0.2 OUTLIER -100.27 -54.63 2.82 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.684 ' O ' HG23 ' A' ' 91' ' ' THR . 15.3 t -157.9 74.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.048 0.451 . . . . 0.0 111.48 -179.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 85' ' ' MET . . . 174.83 44.71 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.379 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -110.57 30.42 6.83 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.95 0.405 . . . . 0.0 111.18 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.599 ' O ' HG23 ' A' ' 96' ' ' ILE . 1.5 m -127.27 -159.33 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.422 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -54.15 91.11 0.01 OUTLIER Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.419 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.736 HG22 ' HG3' ' A' ' 85' ' ' MET . 25.3 pt -91.62 -178.86 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 111.37 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.435 ' ND2' ' HG2' ' A' ' 100' ' ' MET . 0.9 OUTLIER -58.45 167.12 1.87 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.958 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -74.41 55.46 3.63 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.903 2.402 . . . . 0.0 112.405 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 57.3 107.94 0.01 OUTLIER Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.876 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.435 ' HG2' ' ND2' ' A' ' 97' ' ' ASN . 1.1 ptt? -138.04 -179.74 5.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.769 0.318 . . . . 0.0 110.757 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.602 HD13 ' HE1' ' A' ' 103' ' ' HIS . 3.6 mt -78.78 146.81 69.57 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.759 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.93 -39.93 3.88 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.501 2.134 . . . . 0.0 112.731 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.602 ' HE1' HD13 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -78.52 -8.67 58.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.698 -179.683 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.486 ' HG2' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -44.24 -63.24 0.92 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.843 0.354 . . . . 0.0 111.219 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -59.58 -53.05 62.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.748 HG13 HG11 ' A' ' 39' ' ' VAL . 21.6 t -46.3 -61.3 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.588 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.41 -55.83 29.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.078 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.03 -21.29 44.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.361 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.576 ' HE2' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -67.17 -60.27 2.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.877 -179.833 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.515 ' O ' HG22 ' A' ' 113' ' ' ILE . 4.7 ptp85 -52.07 -25.49 8.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.8 t -65.87 -39.96 91.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.128 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.622 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -63.11 -43.28 98.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.662 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.597 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -62.54 -28.69 45.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.707 179.722 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 79.2 m -61.4 -39.23 89.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.069 0.462 . . . . 0.0 110.129 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -86.73 -38.92 16.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.515 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.905 ' CZ3' HD22 ' A' ' 49' ' ' LEU . 37.0 m95 -68.9 -45.88 69.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.015 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 54.6 m -62.21 -43.49 98.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.035 0.445 . . . . 0.0 110.189 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -61.76 -34.27 75.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.417 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.0 ttt -72.26 -36.33 69.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.697 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -51.69 -44.2 63.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.78 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -81.89 -39.65 23.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.01 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.27 -59.44 3.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.189 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.441 HD21 ' HB ' ' A' ' 57' ' ' VAL . 4.8 tp -52.48 -42.48 64.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.227 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.602 ' OE1' HD13 ' A' ' 129' ' ' ILE . 0.0 OUTLIER -60.66 -54.11 49.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.831 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 44.8 m170 -59.75 -45.46 92.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.022 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.88 84.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.266 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 10.2 ttm -58.51 -30.76 67.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 136.42 41.65 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.575 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.602 HD13 ' OE1' ' A' ' 124' ' ' GLN . 12.0 mt -132.33 158.5 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.756 0.312 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.493 ' N ' HG22 ' A' ' 129' ' ' ILE . 31.2 m80 -138.67 111.97 8.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.986 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -106.24 154.54 20.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.075 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -143.07 88.97 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.101 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.819 0.342 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.417 ' HB3' ' HB3' ' A' ' 102' ' ' PRO . 4.4 m-20 -125.17 144.32 50.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.748 HG23 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -51.01 162.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.069 179.742 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.423 HG23 ' H ' ' A' ' 35' ' ' GLN . 1.5 t -61.4 137.44 58.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.712 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.4 m -54.78 -26.37 34.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 82.3 p -70.74 -35.61 72.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.502 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 1.3 tm0? -69.54 -41.89 75.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.014 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.748 HD21 HG23 ' A' ' 31' ' ' VAL . 55.5 mt -52.91 -48.62 67.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.072 0.463 . . . . 0.0 110.385 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 pp -81.15 -22.38 39.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.832 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.502 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 5.7 m -59.69 -33.77 72.02 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.869 0.366 . . . . 0.0 110.492 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.449 ' HB ' ' HG2' ' A' ' 109' ' ' MET . 10.6 m -85.15 -41.78 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.348 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.668 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -59.49 -25.27 64.31 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.141 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.411 ' NE2' ' NH1' ' A' ' 40' ' ' ARG . 4.5 m-70 -78.97 -38.34 37.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.255 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.504 HE22 HD13 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -81.08 -31.08 34.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.993 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.094 HD13 HG23 ' A' ' 76' ' ' THR . 0.0 OUTLIER -71.67 -64.22 0.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.7 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.42 -37.71 49.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.422 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.84 -57.86 9.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.025 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.2 m -68.57 -28.71 67.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.581 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -67.48 74.36 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.203 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.98 140.36 2.85 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.726 HD13 ' HB3' ' A' ' 53' ' ' GLN . 38.9 mt -82.75 141.71 44.75 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.516 0.198 . . . . 0.0 110.765 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.405 ' HD2' ' HB2' ' A' ' 53' ' ' GLN . 43.9 Cg_exo -55.24 -76.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.285 1.99 . . . . 0.0 112.554 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.61 -72.29 0.2 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.771 0.319 . . . . 0.0 111.52 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.38 -37.04 79.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.422 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.726 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -52.0 -25.86 9.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.275 -179.728 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.597 ' HA ' HG12 ' A' ' 57' ' ' VAL . 22.5 t-80 -86.11 -39.18 17.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.877 0.37 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.31 -17.32 28.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.682 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -98.67 -47.58 5.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.722 0.296 . . . . 0.0 111.214 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.924 HG23 HD12 ' A' ' 65' ' ' LEU . 13.3 p -68.19 -9.93 11.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 93.7 p -123.8 -37.79 2.57 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.92 -9.81 47.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -134.16 -60.55 0.81 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.911 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.405 ' CB ' ' HA ' ' A' ' 57' ' ' VAL . . . -40.65 149.99 0.3 Allowed Pre-proline 0 N--CA 1.463 0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.084 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -73.86 160.33 43.58 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.801 2.334 . . . . 0.0 112.544 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -46.93 -41.87 16.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.231 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.1 p -55.01 -33.12 62.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.031 0.443 . . . . 0.0 110.599 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.924 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -81.11 -33.35 33.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.661 179.693 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -77.01 -53.06 8.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.548 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.7 p30 -58.09 -34.07 69.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.262 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -74.05 -26.96 60.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.845 0.355 . . . . 0.0 110.739 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -57.88 -59.73 4.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.0 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.66 -28.86 70.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.988 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.43 -67.18 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.02 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.828 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.5 pp -54.27 -39.76 67.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.017 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.828 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.2 t80 -68.9 -33.57 73.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.71 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.39 -37.01 55.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.097 0.475 . . . . 0.0 110.268 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.99 -26.81 48.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.569 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 1.094 HG23 HD13 ' A' ' 43' ' ' LEU . 61.9 m -75.51 -36.47 60.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.187 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.73 -25.4 59.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.447 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.14 -27.26 16.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.603 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 76' ' ' THR . 13.0 t -71.9 -46.89 56.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.345 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.782 HD21 ' HB3' ' A' ' 43' ' ' LEU . 4.8 mt -49.33 -35.26 17.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.851 0.358 . . . . 0.0 110.932 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -55.93 -32.81 64.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.604 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 46.0 mtm -71.01 -24.98 62.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.762 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.835 ' HB2' ' CE ' ' A' ' 109' ' ' MET . . . -76.33 -37.88 56.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.505 ' HA ' ' HE1' ' A' ' 87' ' ' HIS . 0.4 OUTLIER -94.79 46.14 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.91 -63.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.036 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.413 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -34.72 -62.35 0.36 Allowed 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -178.824 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.609 ' O ' HG22 ' A' ' 91' ' ' THR . 1.7 p80 -70.74 57.87 0.2 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.861 0.362 . . . . 0.0 111.144 -179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.591 ' HB2' ' HB2' ' A' ' 93' ' ' ALA . 0.1 OUTLIER -46.5 -28.44 1.4 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.467 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -62.37 -29.99 70.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -109.65 -3.05 17.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.793 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 87' ' ' HIS . 7.9 t -130.27 -139.64 0.22 Allowed 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.41 112.21 4.31 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.591 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.591 ' HB2' ' HB2' ' A' ' 88' ' ' ARG . . . -95.36 34.17 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.729 0.299 . . . . 0.0 111.414 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.572 ' O ' HG23 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -99.78 -172.29 2.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.744 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -51.1 93.4 0.01 OUTLIER Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.679 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.572 HG23 ' O ' ' A' ' 94' ' ' SER . 44.5 pt -94.52 -177.94 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 111.169 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.45 165.23 0.7 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.016 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -73.89 57.28 3.79 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.87 2.38 . . . . 0.0 112.194 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.42 125.06 1.47 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.668 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.569 ' HE3' ' O ' ' A' ' 101' ' ' LEU . 3.6 ttp -132.7 141.31 48.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 0.0 110.716 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.583 HD13 ' HE1' ' A' ' 103' ' ' HIS . 15.0 mt -69.99 153.7 95.2 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.417 ' HB3' ' HB3' ' A' ' 30' ' ' ASN . 74.0 Cg_endo -75.34 -36.28 2.44 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.65 2.234 . . . . 0.0 112.72 -179.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.583 ' HE1' HD13 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -87.96 -8.97 54.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.633 -179.671 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.579 ' CG ' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -57.27 -50.48 72.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.968 0.414 . . . . 0.0 110.74 179.823 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -63.37 -37.84 88.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.798 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 26.5 t -68.53 -57.67 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.159 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.55 -49.27 75.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.032 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.07 -24.71 67.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.835 ' CE ' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -68.65 -61.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.826 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.508 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -57.18 -21.39 32.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.976 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.86 -38.13 79.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.925 0.393 . . . . 0.0 110.489 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.737 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -65.15 -45.92 83.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.7 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.6 OUTLIER -62.4 -25.58 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.696 179.61 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 68.9 m -63.03 -38.98 93.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.022 0.439 . . . . 0.0 109.898 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -83.09 -40.07 20.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.253 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.451 ' CD1' HD13 ' A' ' 72' ' ' LEU . 48.8 m95 -67.14 -48.69 67.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.568 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.2 t -54.21 -46.32 72.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.556 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -58.38 -31.8 67.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.385 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.2 ttt -72.86 -31.78 64.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.522 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -55.83 -43.28 76.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.613 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -85.86 -33.86 21.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.884 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.62 -57.83 4.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.689 HD21 ' HB ' ' A' ' 57' ' ' VAL . 5.6 tp -57.5 -45.25 85.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.007 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -58.23 -48.86 79.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.025 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -65.87 -42.22 90.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.1 -38.05 81.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 21.7 ttm -57.4 -51.08 70.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 159.91 39.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.441 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.493 HG22 ' N ' ' A' ' 130' ' ' HIS . 42.1 mt -128.25 158.83 40.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 111.051 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.493 ' N ' HG22 ' A' ' 129' ' ' ILE . 0.0 OUTLIER -115.71 132.6 56.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.773 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -76.28 143.52 40.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.101 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -137.05 79.94 1.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.554 ' H ' HD12 ' A' ' 133' ' ' ILE . 3.9 mp . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.088 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.1 t70 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.789 0.328 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.426 ' ND2' ' HG2' ' A' ' 102' ' ' PRO . 6.4 m120 -92.45 -178.42 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.712 HG23 ' CD2' ' A' ' 36' ' ' LEU . 3.2 m -80.83 170.43 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.941 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.649 HG23 ' H ' ' A' ' 35' ' ' GLN . 8.5 t -73.69 162.76 28.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.019 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.8 p -60.33 -37.53 80.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.621 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.9 m -65.83 -30.64 71.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.544 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.649 ' H ' HG23 ' A' ' 32' ' ' THR . 0.7 OUTLIER -77.19 -34.6 56.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.74 179.811 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.767 HD21 ' HB2' ' A' ' 102' ' ' PRO . 1.9 mm? -52.84 -49.14 66.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.132 0.491 . . . . 0.0 109.944 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 pp -79.17 -26.84 42.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.282 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 t -59.61 -32.71 70.66 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.997 0.427 . . . . 0.0 110.432 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.74 HG21 HG12 ' A' ' 106' ' ' VAL . 24.9 t -78.03 -51.47 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.739 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.563 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -59.05 -22.8 61.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.816 0.341 . . . . 0.0 110.264 179.39 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.422 ' CD2' ' NH1' ' A' ' 40' ' ' ARG . 1.9 m-70 -77.55 -33.31 54.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.718 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 1.2 pt20 -81.83 -29.56 32.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.879 HD12 ' HG3' ' A' ' 109' ' ' MET . 0.0 OUTLIER -77.8 -59.68 2.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 -179.81 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.66 -36.55 62.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.367 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.88 -48.49 81.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.9 m -77.9 -26.74 49.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.073 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.47 ' O ' ' O ' ' A' ' 48' ' ' GLY . . . -69.11 -163.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.137 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.528 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 34.16 107.49 0.0 OUTLIER Glycine 0 CA--C 1.522 0.513 0 CA-C-N 115.827 -0.624 . . . . 0.0 114.465 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.701 HD23 ' CE2' ' A' ' 69' ' ' TYR . 2.7 mm? -53.19 150.07 11.9 Favored Pre-proline 0 N--CA 1.462 0.15 0 CA-C-O 120.652 0.263 . . . . 0.0 110.972 179.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.39 -81.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.469 2.113 . . . . 0.0 112.184 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.28 -69.91 0.22 Allowed 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.792 0.33 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.34 -30.06 68.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.233 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.453 ' O ' HG12 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -55.22 -27.34 45.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.265 -179.871 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.599 ' HA ' HG12 ' A' ' 57' ' ' VAL . 30.7 t-80 -89.57 -28.5 19.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.173 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -64.61 -20.77 66.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.523 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.426 ' CD2' ' HG3' ' A' ' 127' ' ' MET . 0.0 OUTLIER -99.6 -49.91 4.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.727 0.299 . . . . 0.0 111.12 -179.634 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.911 HG23 HD12 ' A' ' 65' ' ' LEU . 14.4 p -66.42 -9.88 9.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.6 t -121.01 -39.88 2.67 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.01 -9.91 46.87 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.16 0.429 . . . . 0.0 112.16 -179.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -129.27 -59.15 1.11 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.716 0.293 . . . . 0.0 111.5 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.402 ' CB ' ' HA ' ' A' ' 57' ' ' VAL . . . -46.52 150.04 1.28 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.649 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.77 160.26 46.63 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -48.75 -36.11 15.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.135 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.1 m -59.32 -38.23 79.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.717 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.911 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -72.74 -34.94 67.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.683 179.755 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -73.41 -32.93 64.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.814 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -60.38 -46.64 89.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.707 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -73.72 -29.09 62.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.701 ' CE2' HD23 ' A' ' 49' ' ' LEU . 10.0 t80 -51.2 -58.09 7.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -75.54 -28.46 59.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.223 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.87 -65.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.088 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.856 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.5 pp -54.12 -37.75 64.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.069 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.856 ' N ' HD12 ' A' ' 72' ' ' LEU . 9.7 t80 -70.38 -31.36 68.57 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.644 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.42 -46.86 63.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.913 0.387 . . . . 0.0 110.282 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.26 -23.99 61.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.365 179.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.725 HG23 HD13 ' A' ' 43' ' ' LEU . 91.6 m -77.75 -53.99 6.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -59.59 -24.35 63.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.574 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.42 -38.36 12.04 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 76' ' ' THR . 12.4 t -63.24 -41.06 99.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.736 0.303 . . . . 0.0 111.04 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.788 HD21 ' HB3' ' A' ' 43' ' ' LEU . 31.4 mt -56.89 -39.92 75.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.921 0.391 . . . . 0.0 110.797 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -45.66 91.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.75 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 50.4 mtm -58.45 -31.62 67.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.688 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.467 ' CB ' ' HE3' ' A' ' 109' ' ' MET . . . -69.28 -56.43 7.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.793 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.583 ' O ' HG21 ' A' ' 91' ' ' THR . 19.0 t70 -84.64 55.14 3.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.742 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.435 ' CG ' HG21 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -130.24 -47.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -25.99 25.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.571 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.672 ' HB2' HG22 ' A' ' 91' ' ' THR . 11.8 m80 -68.29 70.77 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.93 0.395 . . . . 0.0 110.93 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -46.81 -27.33 1.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.609 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -87.48 -52.58 5.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.485 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.3 mtm -68.68 -47.08 67.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.586 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.672 HG22 ' HB2' ' A' ' 87' ' ' HIS . 8.8 t -116.7 -173.3 2.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.866 0.365 . . . . 0.0 110.962 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.75 102.18 2.83 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.588 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -91.07 34.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.717 0.294 . . . . 0.0 111.422 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 96' ' ' ILE . 18.5 p -99.78 -114.38 0.17 Allowed 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.719 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.78 78.41 0.01 OUTLIER Glycine 0 C--N 1.337 0.603 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.442 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 94' ' ' SER . 42.4 pt -115.3 -173.43 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.789 0.328 . . . . 0.0 111.241 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.429 ' HB2' ' CD ' ' A' ' 98' ' ' PRO . 1.4 p-10 -47.31 169.63 0.11 Allowed Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.429 ' CD ' ' HB2' ' A' ' 97' ' ' ASN . 16.4 Cg_exo -68.14 55.92 0.79 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.69 2.26 . . . . 0.0 112.675 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 63.03 125.16 0.01 OUTLIER Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.949 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.485 ' HE1' ' HA ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -157.02 151.6 25.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.729 0.299 . . . . 0.0 110.758 179.724 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.437 ' HB2' ' CE1' ' A' ' 103' ' ' HIS . 44.3 mt -80.18 148.54 67.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.727 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.767 ' HB2' HD21 ' A' ' 36' ' ' LEU . 19.5 Cg_endo -61.46 -9.94 14.72 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.746 2.298 . . . . 0.0 113.639 -179.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.443 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -91.64 -8.75 46.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.664 0.269 . . . . 0.0 111.437 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.62 -29.81 65.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.904 0.383 . . . . 0.0 110.592 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -79.11 -49.38 12.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.124 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.74 HG12 HG21 ' A' ' 39' ' ' VAL . 36.0 m -52.81 -45.36 50.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.226 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.478 ' N ' HG23 ' A' ' 106' ' ' VAL . 2.9 m-20 -64.08 -49.8 70.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.515 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.73 -24.07 66.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.965 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.879 ' HG3' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -72.21 -53.48 12.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.62 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.475 ' O ' HG22 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -53.92 -25.85 22.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.49 179.497 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -71.08 -38.27 72.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.425 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.698 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -60.54 -46.27 90.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.625 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -61.24 -27.81 42.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.807 179.711 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 25.9 m -59.98 -43.02 95.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.982 0.42 . . . . 0.0 110.252 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.6 -37.14 18.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.602 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.528 ' CH2' ' N ' ' A' ' 48' ' ' GLY . 35.5 m95 -68.44 -43.12 77.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.845 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 67.5 m -62.18 -45.45 93.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.125 0.488 . . . . 0.0 109.757 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -62.7 -39.39 93.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.278 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.416 ' HG2' HD22 ' A' ' 123' ' ' LEU . 3.1 ttt -65.85 -37.1 85.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.547 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.32 -43.92 64.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.729 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -81.42 -33.96 31.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.949 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.49 -60.86 2.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.313 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.416 HD22 ' HG2' ' A' ' 119' ' ' MET . 1.1 tp -51.0 -45.56 61.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.05 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -58.58 -48.9 79.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -60.86 -53.29 59.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.212 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . . . -58.95 -36.79 75.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.397 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.426 ' HG3' ' CD2' ' A' ' 56' ' ' PHE . 9.9 ttm -55.47 -43.51 75.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 154.81 41.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 130' ' ' HIS . 22.3 mt -138.07 157.42 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 111.045 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.45 ' N ' HG22 ' A' ' 129' ' ' ILE . 1.7 t-80 -141.67 132.79 26.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -131.61 143.15 50.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.71 81.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.099 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.82 0.343 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -109.69 130.05 55.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.807 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.827 HG23 ' CD2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -48.57 161.22 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.252 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.685 HG23 ' HB2' ' A' ' 35' ' ' GLN . 1.1 t -56.94 141.15 46.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.297 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -37.73 53.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.199 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 38' ' ' SER . 5.3 m -61.4 -43.46 98.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.518 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.685 ' HB2' HG23 ' A' ' 32' ' ' THR . 0.2 OUTLIER -67.81 -41.37 83.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.628 179.74 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.827 ' CD2' HG23 ' A' ' 31' ' ' VAL . 1.9 mm? -53.65 -48.9 68.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.067 0.46 . . . . 0.0 109.933 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.492 ' C ' HD12 ' A' ' 37' ' ' LEU . 2.0 pp -81.11 -17.03 51.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.185 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.545 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 0.3 OUTLIER -70.96 -24.29 62.39 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.742 179.714 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.669 HG12 ' HG2' ' A' ' 109' ' ' MET . 3.1 t -89.66 -43.02 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.536 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.536 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -63.07 -27.37 69.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.348 179.639 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -79.08 -38.63 35.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.489 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -79.78 -31.5 40.84 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.233 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.85 HD13 HG23 ' A' ' 76' ' ' THR . 0.1 OUTLIER -74.36 -60.99 2.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.018 -179.649 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.8 -41.8 45.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.303 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.38 -47.49 85.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.663 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.428 ' CB ' HD11 ' A' ' 113' ' ' ILE . 0.3 OUTLIER -74.27 -26.26 60.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.955 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.508 ' HB2' HG21 ' A' ' 76' ' ' THR . . . -69.03 69.39 0.19 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.068 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.46 144.88 5.8 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.612 HD11 HG11 ' A' ' 57' ' ' VAL . 71.5 mt -82.46 144.71 50.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.602 0.239 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -54.65 -76.45 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.451 2.101 . . . . 0.0 112.656 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.36 -80.99 0.13 Allowed 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -60.84 -30.09 69.89 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.803 0.335 . . . . 0.0 111.304 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -50.09 -34.88 23.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.061 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.45 ' HA ' HG12 ' A' ' 57' ' ' VAL . 28.4 t-80 -76.14 -45.33 34.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.218 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -55.45 -21.25 15.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.474 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.42 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 1.9 t80 -91.65 -54.45 3.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 111.121 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.047 HG23 HD12 ' A' ' 65' ' ' LEU . 13.3 p -67.92 -9.9 11.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -179.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 t -122.0 -34.8 3.28 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.13 -9.77 20.23 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -123.02 -68.28 0.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.765 0.317 . . . . 0.0 111.644 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.442 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -43.01 149.89 0.48 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.855 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.65 160.26 41.39 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.746 2.297 . . . . 0.0 112.331 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -46.58 -29.95 2.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.2 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 p -61.7 -47.06 87.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.659 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.047 HD12 HG23 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -64.09 -31.08 72.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.629 179.694 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -73.79 -32.96 64.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.697 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -56.91 -48.17 78.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.796 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -69.93 -34.87 74.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.555 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -60.05 -48.18 82.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.645 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -75.28 -31.74 60.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.785 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -59.44 -58.52 8.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.773 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.789 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -58.61 -38.33 77.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.764 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.789 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.0 t80 -72.04 -29.59 64.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.07 -39.43 72.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.998 0.428 . . . . 0.0 110.239 179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -78.01 -24.71 47.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.617 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.85 HG23 HD13 ' A' ' 43' ' ' LEU . 31.0 m -76.83 -40.12 48.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -70.49 -25.36 63.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.174 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.34 -39.51 10.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.368 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.577 HG22 ' HA ' ' A' ' 76' ' ' THR . 14.7 t -61.02 -38.29 85.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.768 0.318 . . . . 0.0 110.931 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.536 HD23 ' HA ' ' A' ' 40' ' ' ARG . 42.0 mt -59.84 -34.93 73.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.79 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.23 -49.77 74.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.781 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 76.1 mtm -55.25 -24.16 26.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.989 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.677 ' HB2' ' HE1' ' A' ' 109' ' ' MET . . . -77.3 -46.91 21.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.991 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.456 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 0.7 OUTLIER -85.08 47.83 1.47 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.185 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.675 ' CE ' HG22 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -130.38 -47.95 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -51.99 -31.26 28.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.921 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.516 ' O ' HG22 ' A' ' 91' ' ' THR . 4.5 m80 -68.07 71.34 0.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.893 0.378 . . . . 0.0 110.951 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.792 ' HA ' ' HB2' ' A' ' 93' ' ' ALA . 3.0 mtm180 -56.01 -19.21 11.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.638 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -98.66 -29.91 12.77 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.5 mtm -93.45 -35.74 12.82 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 87' ' ' HIS . 9.0 t -116.41 -164.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.723 0.297 . . . . 0.0 110.921 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.83 103.86 3.06 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.901 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.792 ' HB2' ' HA ' ' A' ' 88' ' ' ARG . . . -93.43 34.4 1.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.75 0.309 . . . . 0.0 111.269 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.2 p -99.6 -114.66 0.16 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.454 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.02 69.5 0.32 Allowed Glycine 0 C--N 1.334 0.461 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.342 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.675 HG22 ' CE ' ' A' ' 85' ' ' MET . 25.6 pt -82.94 -177.4 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 111.323 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -56.65 166.98 1.11 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.926 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -69.31 57.58 1.28 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.758 2.305 . . . . 0.0 112.357 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 71.44 125.11 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.692 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.8 ptm -137.6 164.15 29.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.741 0.305 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.2 mt -85.17 154.09 60.04 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.748 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.34 -47.43 4.39 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.54 2.16 . . . . 0.0 112.59 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.593 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -84.82 -8.63 58.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.608 -179.655 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.47 -37.56 12.02 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.803 0.335 . . . . 0.0 111.356 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.58 ' OD1' HG13 ' A' ' 106' ' ' VAL . 4.3 p30 -79.12 -58.91 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.437 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.593 HG22 ' HA ' ' A' ' 103' ' ' HIS . 29.4 m -52.86 -45.81 51.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.708 0.29 . . . . 0.0 111.557 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.487 ' N ' HG23 ' A' ' 106' ' ' VAL . 0.9 OUTLIER -60.95 -57.1 14.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.382 . . . . 0.0 110.757 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -63.29 -21.35 66.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.677 ' HE1' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -64.56 -62.66 1.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.845 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.477 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -53.01 -25.89 13.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.719 179.745 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -66.94 -37.44 84.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.554 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.618 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -62.39 -43.32 99.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.853 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.477 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.2 OUTLIER -63.63 -30.23 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.748 179.826 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 90.3 m -60.14 -35.24 74.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.31 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -86.87 -41.87 13.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.547 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.46 ' CD1' HD13 ' A' ' 72' ' ' LEU . 49.0 m95 -66.35 -50.77 62.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.517 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.8 t -56.65 -49.56 74.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.36 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.68 -33.18 71.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.339 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.6 ttt -69.24 -35.45 76.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.601 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -54.4 -44.65 72.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.585 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -81.92 -38.18 25.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.912 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.01 -60.22 2.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.273 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.697 HD21 ' HB ' ' A' ' 57' ' ' VAL . 4.6 tp -52.9 -39.66 62.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.85 -44.5 90.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -67.32 -44.61 78.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.33 -31.42 72.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.97 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 9.9 ttm -62.51 -45.94 90.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 151.14 44.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' ' 130' ' ' HIS . 26.3 mt -139.3 158.92 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.327 . . . . 0.0 111.132 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.479 ' N ' HG22 ' A' ' 129' ' ' ILE . 45.7 m170 -135.08 119.61 18.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -106.84 143.8 34.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.033 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -139.36 81.5 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.142 179.926 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.826 0.346 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -108.23 171.43 7.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.685 HG23 ' CD2' ' A' ' 36' ' ' LEU . 2.9 m -61.55 175.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.045 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.664 HG23 ' H ' ' A' ' 35' ' ' GLN . 9.0 t -79.58 164.16 24.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.058 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.2 m -60.1 -37.16 79.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.732 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -33.93 76.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.734 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.664 ' H ' HG23 ' A' ' 32' ' ' THR . 0.5 OUTLIER -70.33 -38.24 74.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.933 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.685 ' CD2' HG23 ' A' ' 31' ' ' VAL . 4.1 mm? -52.72 -50.6 63.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.106 0.479 . . . . 0.0 110.15 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 pp -81.33 -23.07 38.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.295 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.607 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 0.3 OUTLIER -61.49 -45.26 94.98 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.825 0.345 . . . . 0.0 110.656 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.2 t -72.78 -37.62 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.728 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.513 ' HA ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -66.38 -25.34 66.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.241 179.539 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -73.95 -35.08 64.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.367 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 5.1 pt20 -80.78 -32.14 35.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.712 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.862 ' HB3' HD21 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -77.44 -65.79 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.809 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 1.047 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -46.75 -45.52 19.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.592 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -55.77 -46.66 77.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.863 0.363 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -73.83 -24.71 59.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.622 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -73.61 63.47 0.83 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.462 ' N ' ' CZ3' ' A' ' 116' ' ' TRP . . . -178.93 113.04 0.39 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.561 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.553 HD22 ' HZ3' ' A' ' 116' ' ' TRP . 3.7 mm? -59.54 148.74 73.25 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.605 0.241 . . . . 0.0 110.496 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -62.06 -85.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.453 2.102 . . . . 0.0 112.459 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -148.25 -77.17 0.16 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.785 0.326 . . . . 0.0 111.14 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -53.15 -34.92 58.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.259 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.481 ' HB3' HD12 ' A' ' 49' ' ' LEU . 2.7 mp0 -58.13 -35.21 71.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.969 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.584 ' HA ' HG12 ' A' ' 57' ' ' VAL . 30.9 t-80 -79.36 -35.86 40.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.91 -20.33 50.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.71 -59.0 1.86 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.839 0.352 . . . . 0.0 111.0 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.985 HG23 HD12 ' A' ' 65' ' ' LEU . 15.0 p -56.93 -16.13 3.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -179.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 t -115.73 -39.89 3.44 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.99 -9.89 29.94 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -123.63 -65.71 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.702 0.287 . . . . 0.0 111.485 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.76 150.09 0.74 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.811 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.68 160.19 48.83 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.792 2.328 . . . . 0.0 112.385 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -49.48 -34.2 16.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.173 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -47.05 84.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.963 0.411 . . . . 0.0 110.68 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.985 HD12 HG23 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -62.92 -34.91 78.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.462 179.613 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -72.39 -32.89 66.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.692 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -55.34 -44.44 75.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -74.05 -28.22 61.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.496 ' CE2' HD23 ' A' ' 49' ' ' LEU . 8.2 t80 -56.56 -50.15 72.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.78 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -76.73 -34.36 58.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -56.56 -62.66 1.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.761 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.4 pp -54.23 -37.17 64.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.81 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.761 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.7 t80 -72.83 -31.32 64.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.81 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.7 m -51.84 -41.11 61.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.04 0.447 . . . . 0.0 110.285 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -77.9 -26.74 49.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.521 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.827 HG23 ' CD1' ' A' ' 43' ' ' LEU . 76.9 m -73.8 -37.95 64.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.022 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -74.15 -25.1 59.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.369 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.12 -31.09 13.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.462 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.526 HG22 ' HA ' ' A' ' 76' ' ' THR . 15.3 t -66.82 -47.64 71.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.737 0.303 . . . . 0.0 111.032 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 1.047 HD13 ' HB2' ' A' ' 44' ' ' ALA . 32.8 mt -61.79 -38.93 89.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.14 -50.23 71.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.967 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.1 mtp -57.98 -26.8 62.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.048 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.557 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -80.05 -26.27 39.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.329 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.519 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 9.4 t70 -95.42 39.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.11 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.585 ' O ' HG21 ' A' ' 91' ' ' THR . 2.5 mtt -130.72 -48.08 1.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.708 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -36.65 -56.47 0.82 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.213 -179.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.905 ' O ' HG22 ' A' ' 91' ' ' THR . 1.2 p80 -66.41 71.32 0.07 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.745 ' HB3' ' HB2' ' A' ' 93' ' ' ALA . 24.1 mmt-85 -50.79 -22.88 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.707 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -70.25 -40.02 74.67 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.407 ' CE ' ' HB2' ' A' ' 87' ' ' HIS . 5.1 ptp -106.05 7.96 32.1 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.905 HG22 ' O ' ' A' ' 87' ' ' HIS . 11.5 t -132.86 -160.63 1.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.69 0.281 . . . . 0.0 110.795 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.75 109.56 3.86 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.544 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.745 ' HB2' ' HB3' ' A' ' 88' ' ' ARG . . . -93.26 34.17 1.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.739 0.304 . . . . 0.0 111.373 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.84 -164.52 1.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.799 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -52.0 95.25 0.01 OUTLIER Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.767 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.707 HD11 ' NH2' ' A' ' 88' ' ' ARG . 30.5 pt -116.86 -176.2 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 111.024 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -47.05 166.5 0.18 Allowed Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.173 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -69.65 55.62 1.25 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.815 2.343 . . . . 0.0 112.666 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 49.15 99.72 0.01 OUTLIER Glycine 0 C--N 1.332 0.338 0 C-N-CA 121.069 -0.586 . . . . 0.0 113.126 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.57 ' HE1' ' HA ' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -103.33 168.7 9.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.712 0.291 . . . . 0.0 110.704 179.666 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.407 HD13 ' HE1' ' A' ' 103' ' ' HIS . 6.1 mt -75.38 131.65 77.38 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.938 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.57 ' HA ' ' HE1' ' A' ' 100' ' ' MET . 29.3 Cg_exo -61.59 -17.28 53.34 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.58 2.187 . . . . 0.0 112.795 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.41 ' O ' HG22 ' A' ' 106' ' ' VAL . 20.8 p-80 -96.16 -8.8 32.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.625 0.25 . . . . 0.0 111.529 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.26 -29.46 69.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.466 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 8.0 p30 -79.17 -48.75 13.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.225 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 107' ' ' ASP . 30.4 m -56.85 -41.25 75.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.261 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 106' ' ' VAL . 5.0 t0 -66.09 -45.36 81.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.645 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.78 -25.11 64.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.794 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.467 ' CG ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -65.11 -52.55 54.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.595 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.0 mtm-85 -57.62 -30.91 65.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.677 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 t -60.55 -38.68 85.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.691 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.622 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -61.09 -40.93 95.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -60.74 -34.86 60.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 11.9 p -57.12 -52.14 66.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.093 0.473 . . . . 0.0 110.209 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -73.86 -46.2 46.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.737 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.553 ' HZ3' HD22 ' A' ' 49' ' ' LEU . 34.1 m95 -59.63 -54.7 43.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.2 t -53.96 -45.09 71.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.967 0.413 . . . . 0.0 110.592 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -61.24 -37.85 84.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.604 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.3 ttt -65.07 -38.96 92.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.672 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -52.15 -44.07 64.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.833 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -83.07 -34.01 26.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.86 -60.18 2.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.251 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.58 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.2 tp -54.01 -42.89 69.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -63.91 -36.85 85.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.803 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -73.64 -41.37 62.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.809 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.84 -35.51 77.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.0 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 16.5 ttm -59.96 -50.46 73.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 159.99 41.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.462 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 130' ' ' HIS . 19.4 mt -131.64 158.2 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.791 0.329 . . . . 0.0 111.165 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.477 ' N ' HG22 ' A' ' 129' ' ' ILE . 6.2 m170 -143.75 132.37 22.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -124.03 153.01 41.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.071 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.68 85.79 2.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 133' ' ' ILE . 3.9 mp . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.871 0.367 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.405 ' CB ' ' HB3' ' A' ' 102' ' ' PRO . 3.2 m120 -144.45 137.08 26.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.404 ' H ' HG22 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -47.71 162.23 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.934 179.748 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.775 HG23 ' H ' ' A' ' 35' ' ' GLN . 15.3 t -62.36 130.55 45.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 110.664 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.0 p -47.54 -28.89 2.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.446 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.447 ' O ' ' HB3' ' A' ' 38' ' ' SER . 50.2 m -69.21 -38.49 78.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.775 ' H ' HG23 ' A' ' 32' ' ' THR . 37.5 tp60 -70.7 -43.93 68.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.069 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.515 HD11 ' HG2' ' A' ' 86' ' ' GLN . 75.8 mt -52.92 -46.36 68.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.045 0.45 . . . . 0.0 110.371 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.492 ' C ' HD12 ' A' ' 37' ' ' LEU . 2.2 pp -81.3 -15.63 54.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.315 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.447 ' HB3' ' O ' ' A' ' 34' ' ' SER . 25.1 p -73.68 -25.85 60.45 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.735 0.302 . . . . 0.0 110.93 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.691 HG21 HG13 ' A' ' 106' ' ' VAL . 42.0 t -89.17 -37.43 9.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.789 0.328 . . . . 0.0 110.717 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.513 ' HB3' ' HE1' ' A' ' 109' ' ' MET . 0.0 OUTLIER -69.07 -31.27 69.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.01 179.316 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -71.41 -39.76 70.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.126 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.9 -27.51 39.95 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.927 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.84 HD11 HG23 ' A' ' 76' ' ' THR . 2.0 tm? -83.08 -57.58 3.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.011 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.572 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -52.09 -48.26 64.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.341 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -58.21 -49.85 75.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.1 -28.58 68.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.033 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.13 72.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.412 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 162.93 125.15 0.75 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.585 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.587 ' CD1' HG11 ' A' ' 57' ' ' VAL . 23.4 mt -70.83 150.51 95.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.532 0.206 . . . . 0.0 110.713 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -62.31 -78.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.443 2.095 . . . . 0.0 112.513 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -148.64 -68.81 0.22 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.832 0.349 . . . . 0.0 111.499 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.14 -42.93 73.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.332 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.525 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -56.32 -46.61 79.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.975 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.525 ' HA ' HG12 ' A' ' 57' ' ' VAL . 25.1 t-80 -67.01 -45.38 77.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.23 -23.91 9.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.285 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.407 ' HA ' ' HB2' ' A' ' 60' ' ' GLN . 2.4 t80 -90.57 -54.48 3.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.955 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.791 HG23 HD12 ' A' ' 65' ' ' LEU . 10.7 p -68.52 -9.7 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -179.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.437 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 16.2 t -120.89 -31.45 4.2 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.23 -9.78 16.01 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.407 ' HB2' ' HA ' ' A' ' 56' ' ' PHE . 65.8 mt-30 -122.34 -66.67 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.738 0.304 . . . . 0.0 111.712 -179.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.437 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -41.61 150.01 0.36 Allowed Pre-proline 0 CA--C 1.53 0.185 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.933 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.01 160.25 50.69 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.779 2.319 . . . . 0.0 112.5 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -47.78 -39.93 19.47 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.179 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.4 t -57.14 -44.2 83.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.682 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.791 HD12 HG23 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -66.09 -33.09 75.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.466 179.634 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -74.65 -32.93 62.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.694 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -56.26 -45.36 80.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -72.35 -28.05 62.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -60.19 -55.65 31.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -74.12 -31.1 62.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.007 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -60.0 -56.49 21.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.821 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.4 pp -59.89 -32.62 70.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.941 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.821 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.2 t80 -77.14 -33.8 56.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.842 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.5 -35.26 62.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.027 0.441 . . . . 0.0 110.444 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.568 ' O ' HG23 ' A' ' 79' ' ' THR . 16.4 m80 -83.64 -25.7 30.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.674 179.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.84 HG23 HD11 ' A' ' 43' ' ' LEU . 86.7 m -73.81 -40.99 62.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.07 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -38.14 76.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.288 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.16 -25.47 55.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.26 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 75' ' ' HIS . 11.4 p -79.76 -48.02 14.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.238 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.572 HD22 ' HB2' ' A' ' 44' ' ' ALA . 15.6 mt -53.18 -30.78 39.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 110.83 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -61.87 -33.73 74.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.452 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 59.9 mtm -67.28 -31.62 72.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.593 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.638 ' HB2' ' SD ' ' A' ' 109' ' ' MET . . . -71.29 -30.08 65.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.822 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -92.23 44.73 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.483 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 86' ' ' GLN . 2.0 tmt? -130.46 -67.33 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.452 -179.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.515 ' HG2' HD11 ' A' ' 36' ' ' LEU . 53.2 tp60 -27.72 -45.39 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.4 ' HB2' ' CG ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -93.51 51.73 1.63 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.007 0.432 . . . . 0.0 110.867 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.52 ' HE ' HD11 ' A' ' 96' ' ' ILE . 2.0 mmt180 -49.72 -26.14 3.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.547 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -77.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.957 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.483 ' HG3' HG22 ' A' ' 91' ' ' THR . 14.5 ptp -55.94 -30.86 62.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.5 -179.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.483 HG22 ' HG3' ' A' ' 90' ' ' MET . 11.6 t -169.94 118.01 0.58 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.09 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 152.56 -84.54 0.15 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.273 -0.965 . . . . 0.0 113.206 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -155.05 -94.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.656 0.265 . . . . 0.0 111.526 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.513 ' N ' ' HB3' ' A' ' 88' ' ' ARG . 0.8 OUTLIER -152.14 -178.2 6.64 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.594 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -74.66 109.73 2.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.72 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.52 HD11 ' HE ' ' A' ' 88' ' ' ARG . 13.6 pt -135.07 170.65 19.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.982 0.42 . . . . 0.0 111.296 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.413 ' HB2' ' HD2' ' A' ' 98' ' ' PRO . 0.3 OUTLIER -53.95 165.59 0.75 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.705 179.516 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.476 ' O ' ' C ' ' A' ' 99' ' ' GLY . 93.0 Cg_endo -87.57 31.0 0.44 Allowed 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.768 2.312 . . . . 0.0 112.516 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 98' ' ' PRO . . . -20.73 -65.18 0.01 OUTLIER Glycine 0 C--N 1.337 0.636 0 CA-C-N 116.157 -0.474 . . . . 0.0 114.127 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.446 ' HG2' ' N ' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -86.75 145.94 26.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.811 0.338 . . . . 0.0 111.039 -179.689 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.446 ' N ' ' HG2' ' A' ' 100' ' ' MET . 20.2 mt -62.08 156.45 58.51 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.718 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 101' ' ' LEU . 64.8 Cg_endo -73.82 -38.17 2.49 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.568 2.179 . . . . 0.0 113.119 -179.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.4 ' HE1' HD13 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -85.7 -8.8 57.97 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.219 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.406 ' CG ' ' HB2' ' A' ' 101' ' ' LEU . 1.3 mm-40 -48.76 -66.42 0.4 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.965 0.412 . . . . 0.0 111.199 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.483 ' OD1' HD22 ' A' ' 36' ' ' LEU . 3.4 p30 -51.43 -47.53 62.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.433 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.691 HG13 HG21 ' A' ' 39' ' ' VAL . 33.9 t -55.58 -69.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.618 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -51.43 -35.61 40.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.268 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -73.41 -36.76 66.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.033 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.638 ' SD ' ' HB2' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -65.64 -57.49 8.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.771 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.603 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -49.68 -32.04 12.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.818 179.778 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -41.66 97.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.484 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.602 ' HB1' ' OG1' ' A' ' 76' ' ' THR . . . -55.97 -39.17 71.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.069 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.603 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.2 OUTLIER -65.19 -29.38 47.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.847 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 89.0 m -59.73 -36.84 77.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.069 0.462 . . . . 0.0 110.096 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -83.71 -42.69 16.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.481 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.412 ' CH2' ' HA2' ' A' ' 48' ' ' GLY . 50.9 m95 -65.54 -51.33 60.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.799 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.5 m -54.0 -46.59 71.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.605 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -60.92 -22.5 64.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.7 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.656 ' HG2' HD22 ' A' ' 123' ' ' LEU . 1.8 ttt -75.47 -54.0 7.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -48.69 -29.65 4.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.141 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.36 -44.63 14.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.902 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.52 -52.76 16.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.038 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.773 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -54.95 -41.76 71.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.816 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -57.78 -47.45 82.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.765 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -70.95 -37.42 72.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.777 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.18 -37.36 80.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 6.1 ttm -58.92 -40.88 85.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 144.62 46.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.442 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.439 HG22 ' N ' ' A' ' 130' ' ' HIS . 32.3 mt -125.4 156.39 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 111.112 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.439 ' N ' HG22 ' A' ' 129' ' ' ILE . 58.4 m80 -118.29 60.22 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.58 150.39 27.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.072 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -138.32 86.4 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.078 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.844 0.355 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -151.17 172.91 15.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.82 HG23 HD22 ' A' ' 36' ' ' LEU . 2.6 m -67.0 140.39 19.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.12 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.503 HG23 ' HB2' ' A' ' 35' ' ' GLN . 1.7 t -49.89 161.79 0.23 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.473 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 91.6 p -65.35 -32.18 73.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.658 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.5 -30.95 69.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.363 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.65 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -81.87 -31.92 31.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.554 179.649 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.82 HD22 HG23 ' A' ' 31' ' ' VAL . 2.0 mm? -52.8 -48.47 66.89 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.229 0.538 . . . . 0.0 109.72 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.405 HD12 ' HD2' ' A' ' 41' ' ' HIS . 3.9 pp -76.05 -26.64 56.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.014 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.1 t -60.58 -33.52 72.84 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.318 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.81 HG12 ' HG2' ' A' ' 109' ' ' MET . 1.6 t -74.66 -47.77 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.387 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.629 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -60.63 -26.18 66.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.328 179.4 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.405 ' HD2' HD12 ' A' ' 37' ' ' LEU . 17.9 m-70 -70.55 -37.36 74.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.037 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.454 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -71.33 -31.02 66.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.211 -179.7 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.03 HD13 HG23 ' A' ' 76' ' ' THR . 0.3 OUTLIER -84.45 -56.27 3.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.773 0.32 . . . . 0.0 110.6 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.53 -30.15 1.37 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.576 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -78.69 -63.16 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.068 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.9 t -59.24 -41.17 88.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.036 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.829 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -64.89 80.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.02 149.29 11.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.523 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.625 HD13 ' HD2' ' A' ' 50' ' ' PRO . 1.7 mm? -105.03 126.93 29.77 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.547 0.213 . . . . 0.0 110.743 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.625 ' HD2' HD13 ' A' ' 49' ' ' LEU . 31.6 Cg_endo -64.03 -85.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.378 2.052 . . . . 0.0 112.43 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.22 -77.08 0.16 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.695 0.283 . . . . 0.0 111.283 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -58.44 -35.97 72.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.214 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.564 ' O ' HG12 ' A' ' 57' ' ' VAL . 80.9 mt-30 -56.34 -30.66 62.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.062 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.515 ' HA ' HG12 ' A' ' 57' ' ' VAL . 28.9 t-80 -89.86 -37.52 14.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.949 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -57.2 -21.52 34.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.293 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -96.15 -59.59 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 0.0 111.034 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.993 HG23 HD12 ' A' ' 65' ' ' LEU . 12.8 p -59.86 -13.8 5.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.445 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 31.0 t -118.77 -32.4 4.54 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.4 -9.86 17.3 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -178.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -123.52 -65.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.756 0.313 . . . . 0.0 111.677 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.525 ' HB1' ' CB ' ' A' ' 65' ' ' LEU . . . -41.51 150.33 0.34 Allowed Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.974 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.28 160.41 49.95 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.861 2.374 . . . . 0.0 112.38 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -45.4 -41.16 8.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.277 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -33.03 64.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.045 0.45 . . . . 0.0 110.69 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.993 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -82.96 -31.29 27.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.591 179.71 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -77.19 -51.33 11.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.413 -179.769 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -60.35 -35.26 75.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.651 0.262 . . . . 0.0 110.891 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.403 ' HD3' HD22 ' A' ' 65' ' ' LEU . 1.1 ptt85 -74.08 -30.5 62.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.887 0.375 . . . . 0.0 110.638 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.4 ' HB3' ' O ' ' A' ' 66' ' ' ARG . 7.3 t80 -55.51 -44.95 77.07 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.728 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.54 -25.13 56.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.002 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -59.74 -62.45 1.87 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.896 0.379 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.797 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.4 pp -57.17 -36.68 71.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.797 ' N ' HD12 ' A' ' 72' ' ' LEU . 2.9 t80 -72.83 -34.13 66.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.6 m -53.54 -34.39 58.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.006 0.431 . . . . 0.0 110.23 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -77.7 -31.82 52.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.388 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 1.03 HG23 HD13 ' A' ' 43' ' ' LEU . 40.5 m -73.22 -37.2 66.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.193 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -74.92 -22.54 58.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.541 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.49 -30.35 12.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.644 0.259 . . . . 0.0 111.424 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.559 HG22 ' HA ' ' A' ' 76' ' ' THR . 15.2 t -67.95 -46.25 71.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 111.087 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' A' ' 40' ' ' ARG . 9.7 mt -56.44 -42.6 78.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -54.61 -51.84 64.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.03 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 56.5 mtm -59.18 -27.86 66.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.966 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.65 -42.78 70.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.975 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.405 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 1.1 t0 -91.34 48.96 1.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.411 ' HG3' ' CG2' ' A' ' 96' ' ' ILE . 0.0 OUTLIER -130.19 -43.51 1.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.285 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -50.48 -27.85 7.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.94 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.605 ' HB2' HG22 ' A' ' 91' ' ' THR . 7.4 m80 -68.07 71.28 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 111.009 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.779 ' HA ' ' HB2' ' A' ' 93' ' ' ALA . 21.7 mtm180 -55.85 -19.2 10.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.697 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -99.96 -29.89 12.31 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.419 ' HB2' ' HB3' ' A' ' 87' ' ' HIS . 2.6 mtm -94.74 -32.15 13.46 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.605 HG22 ' HB2' ' A' ' 87' ' ' HIS . 14.5 t -123.39 -163.3 1.11 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.73 0.3 . . . . 0.0 111.074 -179.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.84 106.02 3.36 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.851 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.779 ' HB2' ' HA ' ' A' ' 88' ' ' ARG . . . -93.57 34.34 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.714 0.292 . . . . 0.0 111.436 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 96' ' ' ILE . 53.4 m -99.62 -114.64 0.16 Allowed 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.478 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.14 75.77 0.05 OUTLIER Glycine 0 C--N 1.335 0.503 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.148 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 94' ' ' SER . 50.6 pt -96.09 -174.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.949 0.404 . . . . 0.0 111.429 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.417 ' ND2' ' HG2' ' A' ' 100' ' ' MET . 1.0 OUTLIER -53.72 167.78 0.46 Allowed Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.874 179.75 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -69.15 55.96 1.07 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.774 2.316 . . . . 0.0 112.518 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 62.72 125.1 0.01 OUTLIER Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.934 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.484 ' HE1' ' O ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -161.51 152.69 18.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.765 0.317 . . . . 0.0 110.76 179.696 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.634 HD13 ' CE1' ' A' ' 103' ' ' HIS . 1.3 mt -77.72 139.53 62.65 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.07 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.468 ' HA ' ' HE1' ' A' ' 100' ' ' MET . 53.1 Cg_exo -52.76 -24.05 22.31 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.64 2.227 . . . . 0.0 112.739 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.634 ' CE1' HD13 ' A' ' 101' ' ' LEU . 3.7 p-80 -78.55 -22.09 47.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.389 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -53.82 -54.64 35.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.82 0.343 . . . . 0.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -59.96 -30.06 68.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.803 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.465 ' HA ' HG11 ' A' ' 39' ' ' VAL . 39.0 t -67.28 -57.67 9.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.962 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -58.39 -33.99 70.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.23 -28.41 59.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.81 ' HG2' HG12 ' A' ' 39' ' ' VAL . 4.5 tpp -59.12 -58.19 9.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.008 0.432 . . . . 0.0 110.687 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.531 ' O ' HG23 ' A' ' 114' ' ' THR . 0.0 OUTLIER -64.23 -23.8 67.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.632 179.552 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.1 t -60.69 -40.88 93.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.063 0.459 . . . . 0.0 110.468 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.603 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -66.64 -35.92 81.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.564 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.7 OUTLIER -63.5 -33.8 63.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.563 179.601 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 110' ' ' ARG . 13.8 p -58.84 -51.66 69.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.106 0.479 . . . . 0.0 109.78 179.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -70.62 -48.29 55.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.364 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.615 ' CD1' HD13 ' A' ' 72' ' ' LEU . 26.2 m95 -58.64 -57.13 14.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.841 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.9 p -52.96 -45.66 67.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.048 0.451 . . . . 0.0 110.473 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.22 -32.22 72.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.418 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.519 ' SD ' HD21 ' A' ' 72' ' ' LEU . 4.8 ttt -70.85 -38.62 73.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.65 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -52.9 -41.1 64.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.779 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -81.26 -33.95 32.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.998 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.96 -59.33 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.329 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.514 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -51.56 -43.52 62.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 -179.814 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -59.49 -49.61 77.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.841 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.33 -34.99 79.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.37 -42.73 58.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 14.0 ttm -52.88 -31.71 41.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.065 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 135.37 43.52 0.11 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.6 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 130' ' ' HIS . 23.1 mt -125.36 156.47 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 111.155 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.438 ' N ' HG22 ' A' ' 129' ' ' ILE . 0.8 OUTLIER -131.21 137.52 48.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -79.32 148.71 31.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -133.95 80.14 1.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.173 179.947 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 t70 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.825 0.345 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -103.97 -178.84 3.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.694 HG23 ' CD2' ' A' ' 36' ' ' LEU . 2.9 m -76.69 166.42 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.074 179.857 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.2 p -63.31 161.08 14.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 -179.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.5 m -63.46 -39.23 93.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.497 179.536 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.48 -30.63 71.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.238 179.447 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.403 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -69.52 -39.27 77.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.457 179.571 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.694 ' CD2' HG23 ' A' ' 31' ' ' VAL . 3.5 mm? -52.97 -49.99 65.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.053 179.314 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.528 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 3.0 pp -81.15 -16.3 53.36 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.791 179.24 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.403 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 34.8 t -69.41 -27.5 65.33 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.848 0.356 . . . . 0.0 110.687 179.533 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.512 HG12 ' HG2' ' A' ' 109' ' ' MET . 24.5 t -89.18 -35.82 8.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.022 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.541 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -67.36 -25.43 65.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 110.493 179.636 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.492 ' HD2' HD12 ' A' ' 37' ' ' LEU . 39.1 m-70 -81.0 -41.39 22.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.643 179.678 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -73.19 -35.94 66.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.111 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.82 ' CD1' HG23 ' A' ' 76' ' ' THR . 0.3 OUTLIER -74.17 -55.72 5.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.836 -179.779 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.449 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -53.36 -34.52 57.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.037 179.81 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -61.91 -42.67 99.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.721 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.8 m -94.2 13.41 23.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.389 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.557 ' HB1' ' HE1' ' A' ' 73' ' ' TYR . . . -108.66 72.75 0.84 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.884 0.373 . . . . 0.0 111.099 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.415 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 162.92 115.37 0.34 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.602 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 53' ' ' GLN . 91.9 mt -64.35 141.03 98.1 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.487 0.184 . . . . 0.0 110.696 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 31.5 Cg_exo -57.5 -76.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.409 2.073 . . . . 0.0 112.677 -179.578 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -148.54 -70.66 0.21 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.861 0.362 . . . . 0.0 111.431 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.96 -38.86 73.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.186 -179.541 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.661 ' HB3' HD22 ' A' ' 49' ' ' LEU . 12.4 mt-30 -55.75 -44.27 77.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.007 -179.844 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.553 ' HA ' HG12 ' A' ' 57' ' ' VAL . 26.1 t-80 -71.41 -47.02 58.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.202 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.27 -23.54 9.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.518 -179.734 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.432 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 3.0 t80 -90.74 -53.29 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 0.0 111.069 -179.771 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.934 HG23 HD12 ' A' ' 65' ' ' LEU . 12.5 p -67.03 -9.77 10.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -179.175 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 m -122.49 -35.81 3.03 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.103 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.3 -9.79 21.96 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -178.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -124.02 -67.75 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.723 0.297 . . . . 0.0 111.75 -179.369 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.515 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -40.47 150.02 0.29 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.058 -179.331 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.91 160.34 46.19 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.834 2.356 . . . . 0.0 112.392 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -47.25 -32.59 4.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.0 t -61.06 -46.97 88.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.684 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.934 HD12 HG23 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -66.75 -31.94 72.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.596 179.772 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -72.01 -32.98 67.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.717 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -58.77 -50.06 75.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -66.62 -31.13 71.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.722 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -60.0 -52.93 63.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.775 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -71.11 -30.01 65.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.31 -61.75 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.697 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.2 pp -55.72 -36.23 66.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.697 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.1 t80 -78.46 -27.83 46.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.898 179.903 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -42.84 65.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.943 0.401 . . . . 0.0 110.564 179.707 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.604 ' O ' HG23 ' A' ' 79' ' ' THR . 32.0 m80 -76.96 -35.76 57.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.5 179.589 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.82 HG23 ' CD1' ' A' ' 43' ' ' LEU . 86.2 m -58.33 -44.16 88.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.058 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -63.82 -53.66 47.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.375 -179.713 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.61 -32.44 74.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.502 -179.505 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 75' ' ' HIS . 11.0 p -64.67 -52.71 55.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 110.979 -179.885 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.541 HD23 ' HA ' ' A' ' 40' ' ' ARG . 71.3 mt -54.6 -34.26 61.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.791 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -71.01 -35.71 72.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.641 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 39.3 mtp -73.67 -29.24 62.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.781 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.508 ' CB ' ' HE3' ' A' ' 109' ' ' MET . . . -85.63 -27.8 25.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -94.22 22.48 5.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.621 ' HA ' HG21 ' A' ' 91' ' ' THR . 26.6 tpp -130.4 -30.77 1.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.728 -179.618 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -43.83 -29.12 0.5 Allowed 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.403 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.703 ' O ' HG22 ' A' ' 91' ' ' THR . 0.7 OUTLIER -72.16 67.81 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.946 0.403 . . . . 0.0 110.458 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.929 ' HA ' ' HB2' ' A' ' 93' ' ' ALA . 2.4 mmt180 -54.69 -20.26 7.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.84 -179.673 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -99.66 -29.86 12.43 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.279 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 5.5 mtm -94.31 -31.58 13.99 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.069 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.703 HG22 ' O ' ' A' ' 87' ' ' HIS . 11.6 t -113.99 -156.86 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.574 0.226 . . . . 0.0 111.043 -179.63 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.6 104.4 3.14 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.551 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.929 ' HB2' ' HA ' ' A' ' 88' ' ' ARG . . . -92.22 34.47 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.67 0.272 . . . . 0.0 111.501 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 96' ' ' ILE . 19.4 p -99.52 -114.4 0.16 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.847 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.24 77.06 0.02 OUTLIER Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.602 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 94' ' ' SER . 29.7 pt -115.27 -175.64 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.803 0.335 . . . . 0.0 111.129 -179.909 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -57.56 164.1 3.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -69.02 56.96 1.11 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.828 2.352 . . . . 0.0 112.463 -179.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 60.19 112.98 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.632 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.617 ' HE1' ' HA ' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -136.56 160.47 38.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 110.851 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.7 HD13 ' CE1' ' A' ' 103' ' ' HIS . 0.9 OUTLIER -79.56 135.5 56.65 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.982 -179.824 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.617 ' HA ' ' HE1' ' A' ' 100' ' ' MET . 69.2 Cg_exo -51.55 -23.1 13.96 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.684 2.256 . . . . 0.0 112.81 -179.781 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.7 ' CE1' HD13 ' A' ' 101' ' ' LEU . 10.4 p80 -87.26 -23.0 24.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.39 -179.587 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -51.34 -41.39 60.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.945 0.403 . . . . 0.0 110.844 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.479 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 4.3 p30 -73.57 -41.31 63.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.791 179.893 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.47 HG13 HG21 ' A' ' 39' ' ' VAL . 32.2 t -56.75 -67.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.569 -179.811 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -49.67 -45.1 48.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.477 -179.543 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.2 -29.01 68.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.233 -179.726 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.512 ' HG2' HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -64.1 -63.4 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.925 -179.932 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.484 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -48.37 -29.73 4.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.803 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.58 -36.38 83.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.376 179.525 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.572 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -61.39 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.796 179.698 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.484 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.2 OUTLIER -62.62 -30.3 48.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.733 179.865 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 87.0 m -60.05 -35.67 75.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.014 0.435 . . . . 0.0 110.259 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -86.62 -43.01 12.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.471 179.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.513 ' CD1' HD13 ' A' ' 72' ' ' LEU . 47.9 m95 -64.51 -50.91 65.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.449 179.618 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.0 t -56.76 -50.42 72.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.219 179.38 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -60.19 -33.56 72.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.382 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.407 ' O ' ' N ' ' A' ' 123' ' ' LEU . 2.8 ttt -68.77 -38.53 80.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.558 179.704 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 16.6 ttm-85 -52.05 -42.73 63.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.694 179.739 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -81.72 -38.46 25.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.091 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.88 -59.9 2.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.27 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.72 HD21 ' HB ' ' A' ' 57' ' ' VAL . 2.9 tp -51.32 -44.15 61.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.078 -179.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.98 -41.32 78.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -70.49 -51.6 27.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.13 -33.91 71.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.178 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 14.2 ttm -59.44 -42.97 93.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 139.66 42.97 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.532 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 130' ' ' HIS . 18.6 mt -140.4 159.95 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.468 ' N ' HG22 ' A' ' 129' ' ' ILE . 15.4 t-160 -127.93 104.56 7.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 179.88 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.542 ' HB1' ' CD1' ' A' ' 133' ' ' ILE . . . -137.08 155.01 50.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.161 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -136.91 79.97 1.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.542 ' CD1' ' HB1' ' A' ' 131' ' ' ALA . 3.8 mp . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.818 0.342 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.411 ' HB3' ' HB3' ' A' ' 102' ' ' PRO . 4.1 m-20 -126.04 144.26 50.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.852 HG23 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -48.51 157.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.068 179.717 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.617 HG23 ' HB2' ' A' ' 35' ' ' GLN . 1.2 t -54.73 143.19 26.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.58 -37.5 68.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.51 -38.77 88.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.617 ' HB2' HG23 ' A' ' 32' ' ' THR . 1.6 tm0? -66.45 -42.71 87.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.746 179.877 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.852 HD21 HG23 ' A' ' 31' ' ' VAL . 3.8 mm? -52.93 -49.64 65.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.032 0.444 . . . . 0.0 109.992 179.333 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.477 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 2.0 pp -81.52 -17.69 47.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.109 179.416 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.409 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 40.9 t -66.34 -30.78 71.26 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.78 0.324 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.511 HG23 ' CE ' ' A' ' 109' ' ' MET . 2.7 m -89.64 -36.5 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.286 -179.9 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.685 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -66.59 -25.69 66.74 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.422 179.929 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -85.17 -34.18 22.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.443 179.455 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -37.2 29.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.197 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.916 HD13 HG23 ' A' ' 76' ' ' THR . 0.2 OUTLIER -73.86 -50.64 19.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.007 -179.622 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.431 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -52.97 -47.2 68.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.138 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.03 -49.27 77.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -70.02 -29.09 66.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.74 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -69.95 69.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 173.65 132.54 1.55 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.533 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 53' ' ' GLN . 30.1 mt -74.25 151.0 87.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -61.28 -83.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.555 2.17 . . . . 0.0 112.462 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.22 -67.69 0.24 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.781 0.324 . . . . 0.0 111.283 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -67.21 -30.54 70.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.235 -179.588 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.586 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -54.56 -40.31 68.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.178 -179.848 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.453 ' HA ' HG12 ' A' ' 57' ' ' VAL . 27.8 t-80 -73.92 -37.53 64.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -58.55 -19.9 41.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.727 -179.52 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.427 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 2.6 t80 -97.59 -59.33 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 111.146 -179.533 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.728 ' HB ' HD21 ' A' ' 123' ' ' LEU . 12.8 p -57.91 -15.8 5.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.155 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -116.33 -37.2 3.82 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.18 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.8 -9.78 23.92 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -125.52 -67.17 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.315 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.416 ' CB ' ' HA ' ' A' ' 57' ' ' VAL . . . -40.59 150.16 0.29 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.133 -179.289 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.29 160.29 42.38 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.796 2.331 . . . . 0.0 112.519 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -48.21 -32.85 7.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.189 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.8 p -57.5 -46.81 83.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.004 0.43 . . . . 0.0 110.752 179.824 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.612 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -75.06 -28.66 60.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.772 179.79 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -73.15 -50.65 21.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.655 -179.507 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 68' ' ' ARG . 31.7 p30 -58.25 -34.35 70.36 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.265 -179.432 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.493 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -74.45 -31.27 62.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.961 0.41 . . . . 0.0 110.526 179.462 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -59.41 -45.34 91.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.729 179.743 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -74.85 -29.02 60.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -59.41 -60.07 4.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.797 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -56.96 -38.49 73.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.797 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.1 t80 -72.83 -29.8 63.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.74 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.2 t -54.29 -39.34 66.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.032 0.444 . . . . 0.0 110.383 179.608 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -78.98 -26.6 43.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.644 179.446 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.916 HG23 HD13 ' A' ' 43' ' ' LEU . 90.3 m -70.8 -33.26 70.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -76.0 -34.73 59.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.351 -179.674 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -30.52 25.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.451 -179.599 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.473 HG22 ' HA ' ' A' ' 76' ' ' THR . 12.8 t -69.6 -42.13 74.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 110.92 -179.852 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.685 HD23 ' HA ' ' A' ' 40' ' ' ARG . 46.9 mt -57.37 -45.45 84.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.64 -49.46 77.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.744 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.6 mtm -56.8 -24.42 50.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.121 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.478 ' HB2' ' CE ' ' A' ' 109' ' ' MET . . . -76.74 -43.93 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.191 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.514 ' O ' HG21 ' A' ' 91' ' ' THR . 1.2 t0 -86.33 46.34 1.33 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.509 ' HA ' HG21 ' A' ' 91' ' ' THR . 0.7 OUTLIER -130.49 -46.57 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.984 0.421 . . . . 0.0 111.005 179.839 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -24.91 7.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.766 -179.631 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.631 ' HB2' HG22 ' A' ' 91' ' ' THR . 18.1 m80 -67.96 71.17 0.15 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.899 0.38 . . . . 0.0 111.01 -179.78 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.401 ' HA ' ' CB ' ' A' ' 93' ' ' ALA . 4.4 mtt180 -54.67 -21.65 11.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.516 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -93.46 -29.8 15.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.624 -179.562 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.414 ' HB2' ' HB3' ' A' ' 87' ' ' HIS . 4.6 mtm -97.13 -51.49 4.19 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.277 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.631 HG22 ' HB2' ' A' ' 87' ' ' HIS . 15.3 t -105.29 -167.06 1.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 111.103 -179.616 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.87 99.1 2.38 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.75 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.401 ' CB ' ' HA ' ' A' ' 88' ' ' ARG . . . -91.16 34.45 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.726 0.298 . . . . 0.0 111.357 179.805 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 96' ' ' ILE . 58.5 m -99.55 -114.49 0.16 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.545 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.54 74.98 0.04 OUTLIER Glycine 0 C--N 1.336 0.534 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 94' ' ' SER . 25.3 pt -101.51 -174.92 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.733 0.301 . . . . 0.0 111.086 -179.886 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.22 166.85 0.15 Allowed Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.211 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.82 56.76 1.44 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.789 2.326 . . . . 0.0 112.471 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.79 125.14 0.19 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.658 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.7 ttp -150.29 142.19 23.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.767 0.317 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.683 HD13 ' CE1' ' A' ' 103' ' ' HIS . 2.3 mt -68.04 152.28 96.56 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.67 179.705 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.411 ' HB3' ' HB3' ' A' ' 30' ' ' ASN . 56.8 Cg_endo -70.2 -8.9 24.74 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.581 2.187 . . . . 0.0 112.896 -179.711 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.683 ' CE1' HD13 ' A' ' 101' ' ' LEU . 48.5 p-80 -108.22 -9.09 15.58 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.813 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -54.47 -55.55 27.81 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.934 0.397 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -58.69 -46.98 86.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.694 179.824 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.44 HG13 HG11 ' A' ' 39' ' ' VAL . 21.7 t -57.68 -56.65 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.279 179.823 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -58.72 -44.42 90.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.42 -26.09 66.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.511 ' CE ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -67.92 -60.69 2.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.925 -179.87 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.464 ' O ' HG22 ' A' ' 113' ' ' ILE . 2.7 ptp180 -50.77 -27.33 7.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.741 179.85 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.8 t -67.18 -36.59 82.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.433 179.459 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.603 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -62.02 -44.99 95.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.827 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -63.25 -29.05 46.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.848 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 85.1 m -60.5 -36.59 78.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.999 0.428 . . . . 0.0 110.361 179.684 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.566 ' HB3' HD22 ' A' ' 72' ' ' LEU . 1.4 t0 -86.91 -42.25 13.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.54 179.595 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.462 ' CD1' HD13 ' A' ' 72' ' ' LEU . 59.3 m95 -65.47 -49.58 68.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.473 179.71 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.1 t -58.78 -51.24 70.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.288 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -58.58 -33.03 69.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.331 179.466 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.479 ' HG2' HD22 ' A' ' 123' ' ' LEU . 2.8 ttt -67.29 -42.02 84.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.627 179.675 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -50.27 -41.12 49.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.782 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -82.21 -37.17 26.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.022 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.21 -58.93 3.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.234 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.728 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -51.95 -45.47 64.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.014 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -60.34 -42.66 96.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -67.82 -46.86 70.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.808 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.12 99.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.062 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.427 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 11.0 ttm -57.48 -30.22 64.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 129.87 42.52 0.22 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.694 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 130' ' ' HIS . 24.2 mt -127.27 158.15 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 111.15 179.832 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.467 ' N ' HG22 ' A' ' 129' ' ' ILE . 37.6 m80 -139.0 63.23 1.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.525 ' HB1' ' CD1' ' A' ' 133' ' ' ILE . . . -128.26 154.43 45.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.066 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -132.76 79.9 1.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.525 ' CD1' ' HB1' ' A' ' 131' ' ' ALA . 4.0 mp . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.821 0.343 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.436 ' ND2' ' HD2' ' A' ' 102' ' ' PRO . 20.4 m120 -90.89 -173.66 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.748 HG23 HD22 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -98.81 160.48 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.036 179.878 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.425 ' O ' HD23 ' A' ' 36' ' ' LEU . 10.9 p -58.91 161.11 5.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.162 -179.694 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.98 -39.78 90.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.706 179.805 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 m -67.43 -32.08 72.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.353 179.589 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.49 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 15.1 tp60 -68.93 -40.37 79.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.435 179.599 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.748 HD22 HG23 ' A' ' 31' ' ' VAL . 3.4 mm? -52.95 -49.5 65.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.152 179.379 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.466 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 2.9 pp -81.24 -17.38 49.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.118 179.748 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.49 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 18.9 m -69.39 -28.08 65.85 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.871 0.367 . . . . 0.0 110.678 179.725 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.598 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . 19.9 t -87.37 -39.55 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.466 ' CG ' ' HA ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -67.51 -23.49 65.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.513 179.519 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -80.04 -37.66 33.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.914 179.41 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.598 ' HG2' ' HA ' ' A' ' 39' ' ' VAL . 5.8 pt20 -80.23 -36.58 34.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.753 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.779 ' CD1' HG23 ' A' ' 76' ' ' THR . 1.2 tm? -74.1 -58.41 3.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.176 -179.509 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.591 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -50.09 -48.64 53.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.606 -179.776 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -58.08 -50.64 72.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.144 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -28.04 66.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.23 -179.708 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.487 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -67.79 73.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.33 -179.849 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.41 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 162.9 139.94 2.75 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.696 179.889 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.556 ' CD1' HG11 ' A' ' 57' ' ' VAL . 55.4 mt -85.1 146.58 45.73 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.605 0.241 . . . . 0.0 110.702 179.724 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -61.63 -81.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.406 2.07 . . . . 0.0 112.273 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.25 -67.61 0.24 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.834 0.349 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.91 -37.44 74.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 -179.821 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.509 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -57.38 -44.45 84.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.968 -179.892 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.525 ' HA ' HG12 ' A' ' 57' ' ' VAL . 23.1 t-80 -67.87 -43.27 79.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -53.31 -23.29 8.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.584 -179.667 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.439 ' CG ' ' HG3' ' A' ' 127' ' ' MET . 2.0 t80 -92.1 -52.77 4.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 111.097 -179.683 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.123 HG23 HD12 ' A' ' 65' ' ' LEU . 9.6 p -68.38 -9.7 11.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -179.089 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.44 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 2.0 m -122.11 -28.77 4.33 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.094 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.19 -9.85 17.47 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -178.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -128.86 -60.81 1.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.765 -179.384 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.406 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -42.16 149.85 0.42 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.988 -179.325 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.17 160.32 50.0 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.753 2.302 . . . . 0.0 112.412 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -47.36 -41.39 19.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.284 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.0 -34.07 63.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.752 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.123 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -80.95 -29.49 35.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.886 179.829 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -77.08 -53.21 8.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.51 -179.696 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -58.47 -34.68 71.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.657 0.265 . . . . 0.0 111.022 -179.648 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.682 ' HD3' HD22 ' A' ' 65' ' ' LEU . 1.3 ptm180 -74.07 -30.32 62.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.967 0.413 . . . . 0.0 110.44 179.474 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -56.03 -58.43 7.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.961 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -67.96 -26.44 65.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.48 -62.24 2.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.884 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.0 pp -57.38 -31.45 65.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.884 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.8 t80 -75.56 -31.37 60.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.805 179.923 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.47 -40.88 72.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.004 0.43 . . . . 0.0 110.38 179.58 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.439 ' CE1' ' NH2' ' A' ' 78' ' ' ARG . 2.0 t60 -79.12 -23.1 44.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.655 179.426 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.779 HG23 ' CD1' ' A' ' 43' ' ' LEU . 39.2 m -78.1 -33.82 50.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -77.0 -26.52 53.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.13 -179.767 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.439 ' NH2' ' CE1' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -90.64 -28.79 18.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.39 -179.72 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 76' ' ' THR . 12.6 t -73.1 -46.91 48.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.312 . . . . 0.0 110.967 -179.882 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.612 HD21 ' HB3' ' A' ' 43' ' ' LEU . 17.8 mt -55.92 -31.55 63.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.7 -53.55 57.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.998 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 69.9 mtm -54.67 -41.99 70.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.529 ' HB2' ' HB2' ' A' ' 105' ' ' ASN . . . -58.32 -63.15 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.023 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.454 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 7.2 t70 -87.37 62.08 6.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.8 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.433 ' HG3' HG22 ' A' ' 96' ' ' ILE . 6.6 tpt -126.1 -55.58 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 87' ' ' HIS . 36.2 tt0 -67.45 -86.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.033 -179.855 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.48 ' HB2' ' O ' ' A' ' 91' ' ' THR . 40.4 m80 26.21 46.96 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.926 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.21 -23.11 13.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.218 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -71.72 -29.69 64.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.443 -179.838 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.3 ptp -126.64 -56.25 1.39 Allowed 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.339 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.48 ' O ' ' HB2' ' A' ' 87' ' ' HIS . 11.0 t -133.48 132.76 41.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.919 0.39 . . . . 0.0 111.669 -179.16 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.624 ' O ' ' N ' ' A' ' 94' ' ' SER . . . 134.56 -85.14 0.27 Allowed Glycine 0 CA--C 1.506 -0.476 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.69 179.446 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 92' ' ' GLY . . . 21.97 35.86 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.95 1.092 . . . . 0.0 113.95 179.476 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.624 ' N ' ' O ' ' A' ' 92' ' ' GLY . 5.1 m -144.06 -167.15 2.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.811 0.338 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.68 97.57 0.25 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.587 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.433 HG22 ' HG3' ' A' ' 85' ' ' MET . 38.9 pt -105.4 -177.02 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 111.057 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -49.25 166.13 0.25 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -70.08 55.94 1.47 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.844 2.363 . . . . 0.0 112.567 -179.767 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 53.59 103.61 0.01 OUTLIER Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.934 179.642 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.455 ' HE1' ' O ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -128.26 171.78 11.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.653 0.263 . . . . 0.0 110.705 179.766 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.455 ' O ' ' HE1' ' A' ' 100' ' ' MET . 1.7 mt -83.92 133.28 46.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.436 ' HD2' ' ND2' ' A' ' 30' ' ' ASN . 41.4 Cg_exo -56.9 -23.53 51.63 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.66 2.24 . . . . 0.0 112.804 -179.743 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.527 ' HA ' HG22 ' A' ' 106' ' ' VAL . 6.2 p-80 -80.5 -8.97 59.77 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.485 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -71.61 -33.69 69.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.914 0.388 . . . . 0.0 110.78 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.529 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 8.0 p30 -79.21 -46.15 18.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.229 -179.903 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.527 HG22 ' HA ' ' A' ' 103' ' ' HIS . 16.5 m -58.1 -46.32 88.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.429 -179.515 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.508 ' N ' HG23 ' A' ' 106' ' ' VAL . 0.3 OUTLIER -61.62 -42.33 98.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.767 -179.883 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -74.39 -29.29 61.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -56.51 7.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.64 179.834 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.521 ' O ' HG22 ' A' ' 113' ' ' ILE . 2.3 ptm180 -52.97 -31.04 38.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.674 179.737 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.7 m -64.85 -35.53 81.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.47 179.464 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.641 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -62.38 -45.59 92.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.711 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.7 OUTLIER -62.27 -28.4 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 179.842 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 88.9 m -60.95 -36.53 79.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.948 0.404 . . . . 0.0 110.165 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.428 ' HB3' HD22 ' A' ' 72' ' ' LEU . 2.0 t0 -85.23 -43.39 13.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.422 179.497 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.41 ' CH2' ' HA2' ' A' ' 48' ' ' GLY . 71.1 m95 -64.96 -50.7 65.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.507 179.564 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.9 t -57.24 -50.89 71.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.296 179.495 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.34 -30.89 65.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.201 179.195 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.1 ttt -70.5 -38.88 74.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.473 179.518 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.2 -41.17 60.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.688 179.683 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -82.99 -41.14 19.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.926 179.788 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.82 -59.2 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.612 HD21 ' HB ' ' A' ' 57' ' ' VAL . 3.0 tp -52.35 -45.46 65.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -60.9 -47.98 83.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -62.96 -42.22 99.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.76 -37.54 79.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.157 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.439 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 8.0 ttm -59.56 -35.07 73.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 138.71 42.79 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.688 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 130' ' ' HIS . 17.2 mt -131.8 158.54 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.77 0.319 . . . . 0.0 111.073 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.487 ' N ' HG22 ' A' ' 129' ' ' ILE . 27.1 m170 -129.66 120.9 25.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -121.59 150.95 40.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.062 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -149.93 92.47 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.105 179.989 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.825 0.345 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -135.75 -177.26 4.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.75 HG23 ' CD2' ' A' ' 36' ' ' LEU . 3.5 m -76.79 159.83 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.031 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.644 HG23 ' H ' ' A' ' 35' ' ' GLN . 12.7 t -64.36 167.72 6.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 -179.801 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.18 -36.73 85.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.569 179.713 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.3 m -64.68 -31.59 72.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.417 179.671 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.644 ' H ' HG23 ' A' ' 32' ' ' THR . 49.9 tp60 -75.06 -38.04 61.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.521 179.619 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.75 ' CD2' HG23 ' A' ' 31' ' ' VAL . 3.8 mm? -52.95 -48.17 67.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.057 0.456 . . . . 0.0 110.051 179.35 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 2.7 pp -81.02 -18.86 45.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.706 179.27 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.2 t -66.82 -27.28 67.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.871 0.367 . . . . 0.0 110.577 179.571 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 35' ' ' GLN . 21.3 t -88.74 -40.39 13.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.854 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.483 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -65.36 -27.81 68.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.364 179.631 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -76.62 -41.19 46.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.412 179.538 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -77.4 -29.89 53.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.828 ' CD1' HG23 ' A' ' 76' ' ' THR . 1.4 tm? -80.68 -57.46 3.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.043 -179.831 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.586 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -51.1 -50.36 58.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.465 -179.893 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -56.42 -47.86 78.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.01 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 t -67.64 -26.52 66.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.564 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -85.44 79.6 9.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.454 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 170.84 133.33 1.6 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.591 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.861 HD12 ' HB3' ' A' ' 53' ' ' GLN . 3.0 mm? -85.73 129.7 53.68 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.472 0.177 . . . . 0.0 110.684 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.81 -75.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.308 2.005 . . . . 0.0 112.476 -179.762 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.57 -80.73 0.13 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.802 0.334 . . . . 0.0 111.476 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -54.95 -40.98 70.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.513 -179.447 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.861 ' HB3' HD12 ' A' ' 49' ' ' LEU . 2.0 mt-30 -52.82 -30.29 32.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.137 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.663 ' HA ' HG12 ' A' ' 57' ' ' VAL . 29.1 t-80 -90.01 -34.47 15.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.002 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.89 -18.05 58.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.488 -179.74 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.507 ' HZ ' ' HB3' ' A' ' 126' ' ' ALA . 0.0 OUTLIER -100.05 -47.45 4.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 111.103 -179.74 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.989 HG23 HD12 ' A' ' 65' ' ' LEU . 14.6 p -66.56 -10.12 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.256 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.1 t -122.73 -43.06 2.28 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -179.576 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.86 -10.01 56.05 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.148 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -127.84 -58.74 1.22 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.783 0.325 . . . . 0.0 111.474 -179.735 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.432 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -46.48 149.87 1.3 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.692 -179.597 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -74.02 160.24 43.25 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.752 2.301 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.401 ' HG2' ' N ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -47.39 -29.44 2.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.215 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.401 ' N ' ' HG2' ' A' ' 63' ' ' GLN . 21.4 m -62.76 -42.77 99.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.693 179.792 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.989 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -71.21 -32.21 68.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.664 179.782 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -76.03 -32.92 59.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 179.892 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -59.13 -47.04 86.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.761 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -71.01 -27.83 63.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.406 ' OH ' HD23 ' A' ' 49' ' ' LEU . 13.4 t80 -57.67 -63.34 1.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -67.84 -29.4 68.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 -179.803 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -62.05 -63.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.07 -179.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.741 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.3 pp -58.92 -40.63 85.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.055 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.741 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.3 t80 -71.3 -30.31 66.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.074 -179.888 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.57 -42.5 71.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.942 0.401 . . . . 0.0 110.62 179.793 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -78.0 -23.2 48.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.822 179.603 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.828 HG23 ' CD1' ' A' ' 43' ' ' LEU . 89.6 m -78.3 -31.78 49.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -77.08 -27.96 54.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 -179.721 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.43 -33.22 16.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.287 -179.723 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.514 HG22 ' HA ' ' A' ' 76' ' ' THR . 15.2 t -67.1 -45.15 78.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.086 -179.75 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.602 HD21 ' HB3' ' A' ' 43' ' ' LEU . 21.2 mt -56.87 -37.91 71.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 -179.856 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -57.96 -41.2 82.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.053 -179.888 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 77.4 mtm -61.06 -26.61 67.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.033 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.427 ' O ' ' CE1' ' A' ' 87' ' ' HIS . . . -74.07 -26.17 60.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.411 -179.829 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.06 39.2 1.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.103 -179.843 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.437 ' SD ' HG22 ' A' ' 96' ' ' ILE . 2.2 mtm -130.57 -47.34 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.428 -179.854 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.18 -68.67 0.18 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.114 -179.27 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.427 ' CE1' ' O ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -66.16 71.39 0.07 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.281 -179.489 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -33.19 74.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.634 179.728 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -59.26 -39.83 84.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.818 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.0 mtm -88.81 -41.93 12.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.018 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.0 t -166.73 131.69 2.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.185 -179.832 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.612 ' O ' ' N ' ' A' ' 94' ' ' SER . . . 134.88 -84.8 0.27 Allowed Glycine 0 CA--C 1.508 -0.361 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.662 179.742 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 92' ' ' GLY . . . 22.19 35.79 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 179.455 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.612 ' N ' ' O ' ' A' ' 92' ' ' GLY . 17.8 p -121.4 176.08 5.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.78 0.324 . . . . 0.0 110.906 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.93 88.51 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.378 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.437 HG22 ' SD ' ' A' ' 85' ' ' MET . 48.0 pt -97.09 -177.8 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.925 0.393 . . . . 0.0 111.258 -179.819 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.94 166.76 1.0 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.908 179.836 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.27 55.98 4.26 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.966 2.444 . . . . 0.0 112.332 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 88.57 125.11 2.38 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.789 179.804 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.571 ' HE3' ' O ' ' A' ' 101' ' ' LEU . 1.8 ttp -147.78 141.66 25.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.715 0.293 . . . . 0.0 110.649 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.72 HD13 ' HE1' ' A' ' 103' ' ' HIS . 0.8 OUTLIER -77.84 133.91 65.39 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.463 179.648 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.489 ' O ' HD11 ' A' ' 36' ' ' LEU . 50.6 Cg_exo -53.71 -18.97 13.27 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.632 2.222 . . . . 0.0 113.067 -179.481 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.72 ' HE1' HD13 ' A' ' 101' ' ' LEU . 8.2 p-80 -87.7 -8.67 55.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.621 0.248 . . . . 0.0 111.517 -179.728 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.65 -35.67 79.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.84 0.352 . . . . 0.0 110.8 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.41 ' OD1' HG13 ' A' ' 106' ' ' VAL . 4.5 p30 -78.47 -49.28 13.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.619 HG22 ' HA ' ' A' ' 103' ' ' HIS . 19.8 m -56.1 -41.58 69.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.908 0.385 . . . . 0.0 111.117 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.442 ' N ' HG23 ' A' ' 106' ' ' VAL . 30.3 t0 -61.18 -46.66 89.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -72.23 -28.58 63.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.798 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.414 ' HE3' ' HB3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -65.38 -65.38 0.68 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.715 179.868 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.45 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -47.98 -31.55 5.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 179.857 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.5 m -60.53 -38.62 85.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.381 179.477 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.636 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -58.76 -39.92 82.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.901 179.672 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.45 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.8 OUTLIER -61.33 -32.96 54.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.986 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 12.3 p -57.98 -52.31 66.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.048 0.451 . . . . 0.0 110.03 179.516 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -72.4 -46.44 55.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.422 179.316 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.454 ' CH2' ' N ' ' A' ' 48' ' ' GLY . 34.0 m95 -58.93 -54.8 43.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.933 179.838 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.1 t -51.01 -42.99 60.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.004 0.43 . . . . 0.0 110.602 179.775 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -63.43 -35.76 81.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.511 179.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.2 ttt -74.75 -33.68 62.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.763 179.833 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -53.02 -42.81 66.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -81.27 -33.94 32.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.8 -59.74 2.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.296 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.97 -46.62 61.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.52 ' O ' HD12 ' A' ' 129' ' ' ILE . 5.6 mt-30 -58.87 -39.82 82.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -70.92 -54.59 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.202 -179.734 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.507 ' HB3' ' HZ ' ' A' ' 56' ' ' PHE . . . -58.17 -39.0 77.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.333 -179.724 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 7.7 ttm -56.54 -45.3 81.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 145.49 40.01 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.6 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.52 HD12 ' O ' ' A' ' 124' ' ' GLN . 6.7 mt -129.15 157.85 41.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.477 ' N ' HG22 ' A' ' 129' ' ' ILE . 34.3 m170 -133.61 107.34 7.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -117.94 152.38 35.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.41 86.65 2.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.14 179.94 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.868 0.366 . . . . 0.0 111.236 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -115.7 143.47 45.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 179.908 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.2 m -57.15 161.83 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.946 179.665 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.2 p -56.76 145.78 28.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.5 p -53.53 -35.71 60.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.821 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -72.43 -27.86 62.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.809 179.778 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.458 ' HA ' ' HB3' ' A' ' 38' ' ' SER . 64.7 tp60 -69.7 -48.24 60.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.513 HD13 ' HB2' ' A' ' 86' ' ' GLN . 88.5 mt -52.92 -45.67 67.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.256 179.562 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 pp -81.24 -23.84 37.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.634 179.125 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.458 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 13.2 t -61.08 -34.35 74.77 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.909 0.385 . . . . 0.0 110.685 179.762 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.677 HG23 ' CE ' ' A' ' 109' ' ' MET . 3.1 m -83.36 -36.57 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.184 -179.902 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.595 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -64.66 -26.8 68.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.904 0.383 . . . . 0.0 110.082 179.511 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -81.99 -37.03 27.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.643 179.549 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -80.36 -36.44 34.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.25 -179.807 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.794 ' CD1' HG23 ' A' ' 76' ' ' THR . 0.1 OUTLIER -73.88 -63.67 1.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.734 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.508 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -47.54 -45.18 26.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.548 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -57.27 -52.72 64.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.577 ' CB ' HD11 ' A' ' 113' ' ' ILE . 46.5 m -65.4 -31.54 72.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 48' ' ' GLY . . . -71.16 -165.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.462 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 34.02 100.84 0.01 OUTLIER Glycine 0 C--N 1.333 0.395 0 CA-C-N 115.845 -0.616 . . . . 0.0 114.0 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.635 ' CD1' HG11 ' A' ' 57' ' ' VAL . 34.1 mt -48.96 153.39 1.53 Allowed Pre-proline 0 C--N 1.331 -0.211 0 CA-C-O 120.744 0.307 . . . . 0.0 111.112 179.786 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -61.91 -80.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.526 2.151 . . . . 0.0 112.406 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.17 -69.15 0.23 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.857 0.36 . . . . 0.0 111.177 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -55.63 -39.35 70.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 -179.73 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.501 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -55.37 -42.41 73.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.066 -179.849 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.531 ' HA ' HG12 ' A' ' 57' ' ' VAL . 23.5 t-80 -68.06 -41.11 82.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.955 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.93 -21.03 26.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.468 -179.682 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.416 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 4.0 t80 -95.91 -51.96 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.222 -179.635 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.924 HG23 HD12 ' A' ' 65' ' ' LEU . 11.3 p -67.51 -9.8 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.053 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.09 -31.28 3.37 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -179.097 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.69 -9.79 21.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.796 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -131.67 -62.34 0.87 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.342 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.514 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -37.41 151.73 0.13 Allowed Pre-proline 0 N--CA 1.464 0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.234 -179.307 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -68.18 160.26 49.59 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.938 2.425 . . . . 0.0 112.571 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.2 -46.33 23.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.353 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.97 -31.9 61.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.954 0.407 . . . . 0.0 110.797 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.924 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -83.3 -31.66 26.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.732 179.779 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.18 -52.97 8.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.403 -179.804 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -57.96 -39.97 79.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.296 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.426 HH21 ' HE3' ' A' ' 119' ' ' MET . 13.3 ptt180 -69.74 -29.7 67.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.87 0.367 . . . . 0.0 110.816 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.428 ' CE1' HD11 ' A' ' 49' ' ' LEU . 86.6 t80 -58.06 -68.73 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.064 -179.884 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -56.99 -25.03 57.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.216 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.66 -64.08 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.255 -179.784 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.886 HD12 ' N ' ' A' ' 73' ' ' TYR . 3.4 pp -54.75 -28.43 48.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.325 -179.655 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.886 ' N ' HD12 ' A' ' 72' ' ' LEU . 5.7 t80 -83.15 -34.66 25.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.926 179.814 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.82 -44.38 28.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.013 0.435 . . . . 0.0 110.582 179.732 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.827 ' O ' HG23 ' A' ' 79' ' ' THR . 0.1 OUTLIER -75.61 -39.04 58.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.194 179.305 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.794 HG23 ' CD1' ' A' ' 43' ' ' LEU . 99.1 m -59.52 -50.05 75.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.948 179.73 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.437 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 2.2 mt-30 -59.49 -32.38 70.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.002 -179.702 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.4 ' HB2' ' NH1' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -84.05 -36.32 23.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.011 -179.808 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.827 HG23 ' O ' ' A' ' 75' ' ' HIS . 40.5 p -60.84 -47.51 86.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.154 -179.737 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.611 HD21 ' HB3' ' A' ' 43' ' ' LEU . 3.9 mt -56.75 -31.61 64.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.372 . . . . 0.0 110.499 179.83 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.415 ' O ' ' HG3' ' A' ' 85' ' ' MET . 0.3 OUTLIER -57.79 -60.27 3.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.385 179.573 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 59.1 mtm -53.93 -24.18 15.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.811 179.346 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.595 ' HB2' ' HE1' ' A' ' 109' ' ' MET . . . -69.92 -45.43 67.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.331 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.543 ' O ' HG21 ' A' ' 91' ' ' THR . 2.8 t0 -94.67 53.92 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.597 -179.52 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.415 ' HG3' ' O ' ' A' ' 81' ' ' ASP . 39.8 mtt -130.18 -47.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.013 0.435 . . . . 0.0 110.767 179.505 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.513 ' HB2' HD13 ' A' ' 36' ' ' LEU . 11.6 tp60 -48.51 -29.91 4.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.262 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.572 ' HB2' HG22 ' A' ' 91' ' ' THR . 7.2 m80 -69.73 71.19 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.652 179.895 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.587 ' HA ' ' HB2' ' A' ' 93' ' ' ALA . 15.2 mtm105 -59.45 -18.4 39.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.473 -179.74 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -98.48 -29.89 12.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.617 0.246 . . . . 0.0 111.612 -179.386 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 4.3 mtm -94.27 -39.49 10.49 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.321 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.572 HG22 ' HB2' ' A' ' 87' ' ' HIS . 13.6 t -118.49 -164.98 1.07 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.351 . . . . 0.0 111.239 -179.506 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.98 103.75 3.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.665 -179.659 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.587 ' HB2' ' HA ' ' A' ' 88' ' ' ARG . . . -93.62 34.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.311 . . . . 0.0 111.216 179.831 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 96' ' ' ILE . 50.4 m -99.43 -114.42 0.16 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.85 -179.679 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.37 75.45 0.02 OUTLIER Glycine 0 C--N 1.335 0.508 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.916 -179.681 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 94' ' ' SER . 26.8 pt -107.7 -174.52 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.725 0.298 . . . . 0.0 110.905 179.8 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -52.06 166.76 0.38 Allowed Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.932 179.846 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.22 47.16 1.96 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.991 2.461 . . . . 0.0 112.91 -179.578 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 60.87 125.07 0.01 OUTLIER Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.832 179.719 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.34 177.0 9.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.693 0.282 . . . . 0.0 110.764 179.712 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 3.4 mt -56.12 131.91 74.63 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.588 179.834 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 101' ' ' LEU . 33.2 Cg_exo -57.89 -19.84 41.47 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.381 2.054 . . . . 0.0 112.52 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.485 ' HA ' HG22 ' A' ' 106' ' ' VAL . 12.1 p80 -100.88 -8.79 22.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.621 -179.722 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.51 -32.68 3.51 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.875 0.369 . . . . 0.0 111.207 -179.844 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.484 ' OD1' HG13 ' A' ' 106' ' ' VAL . 2.6 p30 -79.21 -58.99 2.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.38 -179.716 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.579 HG12 HG21 ' A' ' 39' ' ' VAL . 35.8 m -55.25 -48.41 76.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.484 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.52 ' N ' HG23 ' A' ' 106' ' ' VAL . 6.3 t0 -61.54 -57.18 13.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.969 0.414 . . . . 0.0 110.78 -179.826 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -60.87 -19.48 60.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.006 179.797 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.677 ' CE ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -67.88 -59.52 3.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.867 0.365 . . . . 0.0 110.696 179.842 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.586 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -51.82 -27.12 11.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.714 179.939 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.1 t -67.04 -39.64 86.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.396 179.52 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.615 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -61.42 -44.58 96.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.978 179.801 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.586 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.6 OUTLIER -62.75 -27.96 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.898 179.91 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 75.8 m -60.51 -40.39 91.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.008 0.432 . . . . 0.0 110.135 179.553 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.426 ' HB3' HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -83.75 -41.31 17.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.737 179.51 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.514 ' NE1' HD13 ' A' ' 72' ' ' LEU . 51.3 m95 -67.9 -43.44 79.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 113' ' ' ILE . 72.9 m -57.76 -48.94 78.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.043 0.449 . . . . 0.0 110.068 179.316 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -59.02 -32.57 69.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.155 179.191 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.426 ' HE3' HH21 ' A' ' 68' ' ' ARG . 1.7 ttt -71.32 -36.56 71.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.591 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -48.74 60.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.794 179.764 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -83.51 -42.26 17.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.057 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.65 -59.92 4.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.292 -179.801 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.818 HD21 ' HB ' ' A' ' 57' ' ' VAL . 4.9 tp -55.45 -42.71 74.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.211 -179.835 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -58.74 -50.6 73.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.361 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -61.82 -45.25 94.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.54 -34.94 78.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 25.0 ttm -57.53 -30.52 65.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 128.87 35.63 0.47 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.621 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 130' ' ' HIS . 23.3 mt -128.08 156.32 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 111.052 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.448 ' N ' HG22 ' A' ' 129' ' ' ILE . 11.8 m170 -114.05 118.23 33.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -98.22 144.03 28.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.053 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -146.57 90.77 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.117 179.984 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.836 0.35 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.591 HD22 ' HD2' ' A' ' 102' ' ' PRO . 13.1 m-20 -166.22 -172.9 2.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.784 HG23 ' CD2' ' A' ' 36' ' ' LEU . 2.6 m -54.0 178.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.29 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.683 HG23 ' H ' ' A' ' 35' ' ' GLN . 12.4 t -85.26 173.96 9.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.058 -179.855 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 53.5 p -72.38 -35.7 68.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.656 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.9 m -65.93 -31.42 72.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.69 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.683 ' H ' HG23 ' A' ' 32' ' ' THR . 51.3 tp60 -79.29 -36.11 40.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.662 179.867 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.784 ' CD2' HG23 ' A' ' 31' ' ' VAL . 1.9 mm? -53.93 -46.47 71.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.986 0.422 . . . . 0.0 110.211 179.532 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.515 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 3.4 pp -78.61 -18.35 54.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.643 179.237 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -70.19 -28.41 65.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.801 0.334 . . . . 0.0 110.719 179.758 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.632 HG13 ' CE ' ' A' ' 109' ' ' MET . 9.9 p -88.15 -29.97 5.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.173 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -75.26 -26.71 59.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 110.253 179.556 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.463 ' HD2' HD12 ' A' ' 37' ' ' LEU . 48.7 m-70 -78.13 -35.74 48.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.94 179.088 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -77.67 -34.59 52.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.714 179.601 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.764 ' CD1' HG23 ' A' ' 76' ' ' THR . 1.1 tm? -78.8 -54.12 6.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.817 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.5 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -54.21 -45.38 72.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.262 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -57.54 -55.45 34.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 m -60.58 -29.24 69.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.783 179.799 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.437 ' HA ' ' CE2' ' A' ' 116' ' ' TRP . . . -77.21 68.18 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.46 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . -176.75 128.19 1.31 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.428 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.718 HD12 ' HB3' ' A' ' 53' ' ' GLN . 2.9 mm? -79.86 137.7 54.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.57 0.224 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.58 -78.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.495 2.13 . . . . 0.0 112.338 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.17 -70.41 0.22 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.856 0.36 . . . . 0.0 111.18 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -61.66 -31.26 71.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.244 -179.726 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.718 ' HB3' HD12 ' A' ' 49' ' ' LEU . 6.0 mt-30 -57.6 -36.2 71.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.019 -179.877 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.598 ' HA ' HG12 ' A' ' 57' ' ' VAL . 27.4 t-80 -83.88 -38.71 20.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -19.18 50.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.388 -179.843 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.428 ' CE2' ' HG ' ' A' ' 123' ' ' LEU . 0.8 OUTLIER -98.0 -49.89 4.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.753 0.311 . . . . 0.0 111.022 -179.756 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.009 HG23 HD12 ' A' ' 65' ' ' LEU . 13.5 p -69.37 -9.85 12.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.133 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 t -123.02 -35.48 3.0 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -179.196 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.44 -9.84 31.53 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.881 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -130.36 -59.91 1.02 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.769 0.319 . . . . 0.0 111.798 -179.494 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.49 149.97 0.55 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.903 -179.402 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.15 160.24 49.69 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.796 2.331 . . . . 0.0 112.351 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 -50.64 -29.38 10.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.08 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -44.3 97.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.6 179.795 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.009 HD12 HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -69.59 -32.14 70.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.581 179.816 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -74.97 -32.91 61.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.67 179.749 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -58.45 -45.44 88.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.725 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -74.09 -27.36 60.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.831 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.451 ' OH ' HD23 ' A' ' 49' ' ' LEU . 13.4 t80 -55.95 -54.95 38.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.958 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -75.12 -31.94 61.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.9 -59.22 5.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.992 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.1 pp -57.1 -34.42 68.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.603 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.2 t80 -79.19 -27.63 42.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.981 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.01 -47.61 71.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.959 0.409 . . . . 0.0 110.793 179.823 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -74.79 -31.93 61.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.538 179.579 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.764 HG23 ' CD1' ' A' ' 43' ' ' LEU . 53.0 m -63.15 -46.41 87.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 78' ' ' ARG . 1.2 pt20 -63.84 -31.64 72.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.961 -179.876 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.423 ' N ' ' HG3' ' A' ' 77' ' ' GLN . 0.1 OUTLIER -79.86 -51.38 9.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.509 179.837 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.9 p -52.93 -33.18 49.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.5 HD13 ' HB2' ' A' ' 44' ' ' ALA . 43.3 mt -72.08 -30.54 65.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.602 179.654 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.32 -50.6 67.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.624 179.799 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.499 ' HA ' ' HE2' ' A' ' 85' ' ' MET . 15.5 mtp -55.87 -29.41 59.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.658 179.677 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.411 ' CB ' ' HB3' ' A' ' 40' ' ' ARG . . . -60.53 -44.31 96.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.416 179.373 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.672 ' OD2' HG21 ' A' ' 91' ' ' THR . 0.4 OUTLIER -88.96 48.83 1.68 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.544 179.439 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.499 ' HE2' ' HA ' ' A' ' 82' ' ' MET . 0.8 OUTLIER -130.28 -40.22 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.156 -179.68 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.449 ' HG3' ' HG3' ' A' ' 102' ' ' PRO . 0.9 OUTLIER -60.59 -23.86 65.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.504 -179.765 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.498 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 21.7 m80 -66.47 71.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.807 0.337 . . . . 0.0 111.451 -179.543 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -16.48 46.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.452 179.812 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -96.34 -29.89 13.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.617 0.246 . . . . 0.0 111.608 -179.54 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.3 mtm -102.54 -44.92 5.21 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -179.333 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.672 HG21 ' OD2' ' A' ' 84' ' ' ASP . 8.9 t -167.49 71.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.909 0.385 . . . . 0.0 110.934 -179.662 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 85' ' ' MET . . . -167.64 44.94 0.24 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.537 -179.886 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -140.73 34.06 1.8 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.866 0.365 . . . . 0.0 111.316 -179.593 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.7 m -126.8 -168.59 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.733 179.842 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.17 95.28 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.434 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.1 pt -128.37 -176.91 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.799 0.333 . . . . 0.0 111.226 -179.88 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -55.4 166.15 0.98 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -69.2 56.7 1.17 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.885 2.39 . . . . 0.0 112.351 -179.868 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 63.45 124.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.656 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.456 ' HE1' ' HA ' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -138.28 152.74 48.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.668 0.27 . . . . 0.0 110.718 179.841 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.514 HD13 ' HE1' ' A' ' 103' ' ' HIS . 0.3 OUTLIER -81.36 129.32 66.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.733 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.594 ' HB3' HD21 ' A' ' 36' ' ' LEU . 85.8 Cg_exo -51.81 -38.98 68.44 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.199 2.599 . . . . 0.0 113.932 -178.647 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.514 ' HE1' HD13 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -59.12 -18.66 37.64 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.237 -179.704 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.3 -46.42 90.36 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.846 0.355 . . . . 0.0 110.606 179.713 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.438 ' HB3' ' HB2' ' A' ' 82' ' ' MET . 15.2 p30 -74.65 -30.89 61.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.807 179.867 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 102' ' ' PRO . 41.9 t -63.19 -66.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.095 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.22 -39.77 60.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -67.38 -35.23 78.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.632 ' CE ' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -61.21 -43.8 98.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.316 179.682 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.525 ' O ' HG22 ' A' ' 113' ' ' ILE . 5.8 mtt180 -60.56 -29.06 68.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.295 179.435 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.0 t -59.66 -44.46 93.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.342 179.526 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.425 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -57.99 -37.23 73.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.878 179.62 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.525 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.8 OUTLIER -62.99 -32.06 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.949 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 8.2 p -59.11 -52.9 63.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.102 0.477 . . . . 0.0 109.86 179.402 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -48.39 56.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.147 179.145 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.483 ' CD1' HD13 ' A' ' 72' ' ' LEU . 31.9 m95 -56.86 -56.15 25.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.818 179.599 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 70.2 m -51.72 -43.15 62.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.987 0.422 . . . . 0.0 110.555 179.615 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -61.54 -32.54 72.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.34 179.497 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.9 ttm -71.51 -35.45 70.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.626 179.74 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -53.67 -46.07 70.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.689 179.786 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -85.94 -39.06 17.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.71 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.94 -58.49 6.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.171 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.782 HD21 ' HB ' ' A' ' 57' ' ' VAL . 5.9 tp -57.63 -45.4 85.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -58.34 -42.2 86.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.827 179.837 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -69.36 -53.99 16.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.009 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.75 -34.27 65.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.407 ' HG3' ' CG ' ' A' ' 56' ' ' PHE . 26.0 ttm -65.73 -31.37 72.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.763 179.865 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 123.92 41.73 0.4 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.314 -179.905 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 130' ' ' HIS . 27.6 mt -130.97 159.47 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.341 . . . . 0.0 111.205 -179.89 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.481 ' N ' HG22 ' A' ' 129' ' ' ILE . 65.3 m80 -133.54 118.58 18.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -86.73 154.97 20.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -142.97 84.6 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.145 179.934 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.767 0.317 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.415 ' CB ' ' HB3' ' A' ' 102' ' ' PRO . 2.7 m120 -119.82 140.66 50.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.832 HG23 HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -47.42 168.35 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.061 179.922 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 32' ' ' THR . 3.7 p -56.86 142.85 39.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.724 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 p -57.46 -32.12 66.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 p -70.21 -31.47 68.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.649 179.842 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.574 ' O ' HG23 ' A' ' 39' ' ' VAL . 11.7 tp60 -70.86 -44.89 65.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.699 179.846 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.832 HD21 HG23 ' A' ' 31' ' ' VAL . 4.3 mm? -52.94 -49.68 65.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.227 179.472 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.463 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 1.7 pp -81.32 -17.55 48.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.363 179.805 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.558 ' HB2' ' HA ' ' A' ' 35' ' ' GLN . 2.5 m -71.46 -23.66 61.86 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.813 0.339 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.611 HG21 HG13 ' A' ' 106' ' ' VAL . 13.2 t -90.59 -44.57 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.518 179.796 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.463 ' CG ' ' HA ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -60.14 -27.67 67.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.995 0.426 . . . . 0.0 110.128 179.072 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -76.72 -42.74 40.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.225 179.389 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -75.33 -27.72 59.35 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.983 179.798 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.726 HD13 HG23 ' A' ' 76' ' ' THR . 0.0 OUTLIER -77.37 -67.67 0.69 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.741 179.953 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.639 ' HB2' HD22 ' A' ' 80' ' ' LEU . . . -46.99 -44.14 19.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.627 -179.789 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -55.03 -59.01 5.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.841 0.353 . . . . 0.0 110.962 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -66.26 -28.22 68.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.63 ' HB1' ' CE1' ' A' ' 73' ' ' TYR . . . -73.61 66.54 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.446 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 174.21 120.28 0.58 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.544 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.808 HD12 ' HB3' ' A' ' 53' ' ' GLN . 3.1 mm? -73.78 139.18 76.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.522 0.201 . . . . 0.0 110.733 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 22.3 Cg_exo -63.3 -73.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.319 2.012 . . . . 0.0 112.293 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.3 ttt-85 -148.52 -70.82 0.21 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.835 0.35 . . . . 0.0 111.35 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -58.47 -42.39 87.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.294 -179.545 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.808 ' HB3' HD12 ' A' ' 49' ' ' LEU . 28.7 mt-30 -52.65 -29.61 27.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.135 -179.744 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.424 ' HA ' HG12 ' A' ' 57' ' ' VAL . 27.0 t-80 -89.99 -37.28 14.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.963 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.98 -20.66 39.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.391 -179.808 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -97.47 -60.75 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 110.981 -179.803 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.795 HG23 HD12 ' A' ' 65' ' ' LEU . 9.4 p -58.97 -13.95 4.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -179.204 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.422 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 23.1 t -118.89 -31.33 4.81 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.219 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.93 -9.8 16.93 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -125.06 -63.83 1.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.701 0.286 . . . . 0.0 111.681 -179.466 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.59 149.96 0.37 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.99 -179.346 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.94 160.24 48.2 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.823 2.348 . . . . 0.0 112.635 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.91 -33.37 10.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.231 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.5 p -58.74 -47.13 85.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.708 179.888 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.795 HD12 HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -72.29 -37.06 69.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.592 179.634 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -60.55 -39.15 86.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.56 179.735 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -61.12 -40.58 94.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.205 179.389 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -32.25 73.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.583 179.506 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.545 ' CE2' HD23 ' A' ' 49' ' ' LEU . 10.7 t80 -55.91 -67.76 0.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.201 -179.863 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -64.91 -28.03 69.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 -179.761 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -60.01 -71.32 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.261 -179.701 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.819 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.6 pp -52.68 -38.43 60.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.5 -179.538 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.819 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.7 t80 -72.16 -30.63 65.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.163 -179.741 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.8 t -55.83 -37.51 68.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.614 179.767 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.502 ' O ' HG23 ' A' ' 79' ' ' THR . 47.2 m-70 -78.58 -28.21 45.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.865 179.785 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.726 HG23 HD13 ' A' ' 43' ' ' LEU . 18.2 m -73.94 -40.55 63.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.207 -179.851 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -68.6 -31.77 71.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.483 -179.347 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -88.38 -9.44 52.66 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -179.445 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 75' ' ' HIS . 3.3 p -92.87 -43.42 8.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.557 0.218 . . . . 0.0 111.298 -179.689 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.639 HD22 ' HB2' ' A' ' 44' ' ' ALA . 1.8 mt -51.91 -26.12 9.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.742 0.306 . . . . 0.0 111.043 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.52 -43.8 96.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.587 179.629 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 65.5 mtm -68.66 -27.6 66.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.745 179.732 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.42 ' CB ' ' HB3' ' A' ' 40' ' ' ARG . . . -61.28 -52.1 66.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.004 179.931 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.529 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 1.7 p30 -88.95 51.5 2.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.8 179.877 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.6 tpt -130.48 -37.05 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.928 -179.578 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -73.57 -5.17 38.59 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.082 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.529 ' CE1' ' HA ' ' A' ' 84' ' ' ASP . 71.3 m80 -70.3 71.43 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 111.126 -179.882 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.16 -20.81 4.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.726 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -91.86 -29.8 16.51 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -179.385 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 46.9 mtm -110.58 -48.48 3.15 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 87' ' ' HIS . 4.8 t -157.74 65.76 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.881 0.372 . . . . 0.0 111.207 -179.355 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -160.73 44.64 0.41 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.399 179.627 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -146.62 34.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.891 0.377 . . . . 0.0 111.209 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.3 m -140.07 -166.4 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.761 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -57.18 90.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.511 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 35.4 pt -116.48 -176.6 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 111.161 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -50.77 166.34 0.31 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.022 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.76 56.0 1.34 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.86 2.373 . . . . 0.0 112.624 -179.878 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.92 108.38 0.01 OUTLIER Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.947 179.731 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.532 ' HE3' ' O ' ' A' ' 101' ' ' LEU . 1.1 ptt? -127.82 175.27 8.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.754 0.312 . . . . 0.0 110.787 179.706 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.532 ' O ' ' HE3' ' A' ' 100' ' ' MET . 1.2 mt -71.62 156.54 91.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.766 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.415 ' HB3' ' CB ' ' A' ' 30' ' ' ASN . 72.2 Cg_endo -76.09 -42.03 0.44 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.651 2.234 . . . . 0.0 112.464 -179.847 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -77.37 -8.93 58.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.538 -179.687 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -48.21 -56.54 7.68 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.841 0.353 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.548 ' OD1' HG23 ' A' ' 106' ' ' VAL . 5.6 p30 -60.14 -51.86 67.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.908 179.932 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.611 HG13 HG21 ' A' ' 39' ' ' VAL . 24.6 t -54.85 -56.61 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.597 -179.817 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.01 -48.92 64.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.387 -179.657 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.448 ' HB3' HG21 ' A' ' 79' ' ' THR . 0.7 OUTLIER -73.2 -31.62 64.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.973 -179.833 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.486 ' SD ' HD12 ' A' ' 43' ' ' LEU . 4.2 mtm -70.17 -57.35 5.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.855 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.574 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -53.84 -25.64 20.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.95 0.405 . . . . 0.0 110.389 179.417 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -66.77 -38.49 86.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.151 179.324 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.72 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -57.21 -37.03 71.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.588 179.483 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.574 HG22 ' O ' ' A' ' 110' ' ' ARG . 1.5 tp -66.51 -31.84 55.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.433 179.56 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 63.0 m -56.44 -38.12 71.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.151 179.38 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.69 -46.48 11.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.207 179.274 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.543 ' CD1' HD13 ' A' ' 72' ' ' LEU . 24.9 m95 -58.13 -52.52 65.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.491 179.533 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.0 t -54.4 -47.06 73.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.453 179.46 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -60.54 -32.95 71.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.406 179.473 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 6.1 ttt -68.77 -38.55 80.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.62 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 33.8 ttt-85 -54.04 -39.34 66.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.695 179.81 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -83.44 -33.92 25.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.794 179.755 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.91 -59.32 2.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.7 HD21 ' HB ' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -53.66 -43.49 68.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.996 179.942 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -58.7 -43.35 90.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -67.88 -50.9 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.807 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.59 89.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 20.0 ttm -56.91 -37.1 70.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 133.63 43.07 0.14 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.638 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 130' ' ' HIS . 31.0 mt -127.72 156.29 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 111.063 179.916 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.438 ' N ' HG22 ' A' ' 129' ' ' ILE . 5.3 m-70 -131.28 125.82 33.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.544 ' HB1' HD11 ' A' ' 133' ' ' ILE . . . -93.97 154.12 17.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -139.97 85.65 2.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.544 HD11 ' HB1' ' A' ' 131' ' ' ALA . 3.7 mp . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.253 -0.88 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.765 0.317 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -60.08 172.41 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.903 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.707 HG23 ' CD2' ' A' ' 36' ' ' LEU . 2.4 m -74.29 177.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.985 179.756 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 t -69.98 155.2 40.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 111.072 -179.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.0 p -55.19 -40.11 70.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 179.906 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 m -64.57 -30.31 71.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.483 179.517 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.524 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -67.79 -46.09 72.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.65 179.789 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.752 HD11 ' O ' ' A' ' 102' ' ' PRO . 4.2 mm? -52.95 -47.91 67.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.055 0.455 . . . . 0.0 110.011 179.376 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.48 ' HA ' ' CG ' ' A' ' 40' ' ' ARG . 1.3 pp -81.38 -18.62 44.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.293 179.62 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.449 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 27.8 t -71.01 -28.05 64.13 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.714 0.293 . . . . 0.0 111.253 -179.625 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 35' ' ' GLN . 6.6 t -88.65 -41.41 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 0.0 110.884 -179.886 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.499 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -63.16 -26.1 68.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.961 0.41 . . . . 0.0 110.226 179.409 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -78.13 -39.16 42.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.17 179.233 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -80.91 -30.78 35.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.033 179.851 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.774 HD11 ' HB3' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -75.61 -53.67 8.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.041 -179.799 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.583 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . . . -57.21 -35.89 70.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.085 179.905 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -59.3 -46.31 88.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.719 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.9 m -78.13 -25.88 47.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.805 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.825 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -74.16 78.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.345 -179.906 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.92 123.29 0.65 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.668 179.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.519 HD11 HG11 ' A' ' 57' ' ' VAL . 20.7 mt -73.0 144.23 84.92 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.615 0.245 . . . . 0.0 110.672 179.871 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.45 -83.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.382 2.055 . . . . 0.0 112.297 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.24 -67.37 0.24 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.81 0.338 . . . . 0.0 111.074 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -63.98 -31.0 72.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 -179.873 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.44 ' HG2' HD23 ' A' ' 123' ' ' LEU . 0.3 OUTLIER -56.21 -42.14 76.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.997 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.549 ' HA ' HG12 ' A' ' 57' ' ' VAL . 18.3 t-80 -73.99 -36.32 64.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.045 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.42 -21.68 38.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.442 -179.738 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.401 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 1.7 t80 -96.61 -53.92 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 111.088 -179.699 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.906 HG23 HD12 ' A' ' 65' ' ' LEU . 12.1 p -65.87 -9.69 8.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -179.406 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.469 ' CB ' ' CE1' ' A' ' 54' ' ' HIS . 9.0 t -113.88 -38.5 4.21 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -178.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.1 t -106.89 -9.96 16.16 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -178.689 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -117.38 -66.41 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.722 0.296 . . . . 0.0 111.485 -179.634 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.98 150.29 0.61 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.643 -179.656 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.15 160.1 49.03 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.666 2.244 . . . . 0.0 112.341 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.36 -38.02 62.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.061 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.6 p -56.76 -41.06 76.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.746 179.82 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.906 HD12 HG23 ' A' ' 57' ' ' VAL . 0.8 OUTLIER -67.44 -30.83 70.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.631 179.738 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -75.09 -32.95 61.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.789 179.87 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -58.89 -45.64 89.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -73.61 -26.52 60.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -57.76 -54.19 49.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -71.1 -30.35 66.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -60.24 -57.87 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.06 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.861 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.0 pp -58.34 -36.37 73.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.011 -179.881 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.861 ' N ' HD12 ' A' ' 72' ' ' LEU . 3.5 t80 -75.8 -30.39 59.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.847 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.8 p -54.76 -37.84 66.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.019 0.438 . . . . 0.0 110.386 179.613 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.421 ' O ' HG22 ' A' ' 79' ' ' THR . 11.0 m170 -81.47 -26.08 35.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.523 179.415 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.825 HG21 ' CB ' ' A' ' 47' ' ' ALA . 17.6 m -72.88 -36.1 67.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -74.89 -32.39 61.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 -179.654 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.37 -38.45 18.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.181 -179.912 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.541 HG22 ' HA ' ' A' ' 76' ' ' THR . 14.7 t -62.43 -46.76 87.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 110.955 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.583 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 62.8 mt -55.78 -35.1 65.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -63.45 -54.43 36.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 61.7 mtm -57.61 -22.31 44.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.24 25.11 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.318 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -138.91 26.33 2.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.854 ' CE ' HD11 ' A' ' 96' ' ' ILE . 8.2 mtm -130.14 -41.1 1.28 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 -179.857 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -42.52 -29.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.044 -179.569 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.64 44.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.342 . . . . 0.0 111.079 -179.796 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.409 ' HA ' ' HD2' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -52.5 -31.15 33.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.116 179.865 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -58.31 -71.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.393 -179.608 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.0 ptp -60.8 -49.91 75.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.386 -179.542 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.0 t -113.82 146.08 40.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.135 -179.785 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -100.54 77.12 0.42 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.308 179.818 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.06 -68.6 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 111.298 -179.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 94.8 p -178.42 139.29 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.803 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.96 92.37 1.69 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.638 -179.871 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.854 HD11 ' CE ' ' A' ' 85' ' ' MET . 22.0 pt -135.1 177.41 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.372 . . . . 0.0 111.187 179.87 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.83 164.53 9.83 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.059 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 99' ' ' GLY . 12.3 Cg_exo -70.0 59.16 1.73 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.763 2.309 . . . . 0.0 111.861 179.596 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 98' ' ' PRO . . . -20.25 -54.9 0.01 OUTLIER Glycine 0 C--N 1.337 0.587 0 CA-C-N 115.866 -0.606 . . . . 0.0 114.194 -179.707 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.413 ' HG2' ' HB2' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -164.91 -179.94 6.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.38 . . . . 0.0 111.197 -179.816 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.708 HD13 ' CE1' ' A' ' 103' ' ' HIS . 0.3 OUTLIER -72.57 135.97 81.06 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.694 179.855 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.752 ' O ' HD11 ' A' ' 36' ' ' LEU . 57.9 Cg_exo -51.69 -21.91 12.14 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.576 2.184 . . . . 0.0 112.924 -179.655 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.708 ' CE1' HD13 ' A' ' 101' ' ' LEU . 34.4 p-80 -84.01 -23.35 30.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.615 0.245 . . . . 0.0 111.285 -179.738 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.426 ' CG ' HD12 ' A' ' 101' ' ' LEU . 5.3 mm-40 -52.76 -50.88 62.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.803 0.335 . . . . 0.0 110.657 179.728 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.503 ' O ' ' HG2' ' A' ' 109' ' ' MET . 4.7 p30 -59.02 -47.35 85.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.226 179.399 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.429 ' HA ' ' HG2' ' A' ' 109' ' ' MET . 80.1 t -45.95 -60.24 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.09 179.582 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -57.42 -33.85 68.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.994 0.426 . . . . 0.0 110.242 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.36 -22.88 62.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.124 179.748 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' A' ' 105' ' ' ASN . 2.3 mmt -66.87 -55.87 12.84 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.972 0.415 . . . . 0.0 110.534 179.881 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.11 -29.34 63.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.645 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.98 -41.54 99.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.387 179.647 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.774 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -66.81 -48.04 70.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.81 179.655 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.26 -30.56 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.785 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 91.4 m -59.33 -38.07 79.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.36 179.606 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -87.48 -41.89 13.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.7 179.694 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -66.19 -50.58 63.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.68 179.748 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.0 t -57.84 -49.64 76.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.316 179.479 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -60.48 -31.77 70.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.292 179.257 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.2 ttt -74.93 -34.03 62.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.667 179.706 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -53.23 -43.27 67.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.736 179.814 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.46 -35.89 20.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.907 179.906 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.8 -58.54 4.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.724 HD21 ' HB ' ' A' ' 57' ' ' VAL . 2.6 tp -57.03 -42.5 80.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.967 179.911 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -59.56 -49.26 78.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.869 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -67.14 -44.67 79.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.44 -37.8 82.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 26.4 ttm -59.07 -47.81 83.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.819 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 149.54 41.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.462 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 130' ' ' HIS . 16.5 mt -128.62 157.17 41.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.815 0.341 . . . . 0.0 111.067 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.455 ' N ' HG22 ' A' ' 129' ' ' ILE . 4.9 t-160 -140.71 136.92 33.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -115.84 143.35 45.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.061 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -145.92 90.32 1.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.187 179.941 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 t0 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.869 0.366 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -81.02 -175.38 5.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.611 HG23 HD22 ' A' ' 36' ' ' LEU . 2.9 m -96.61 152.83 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.908 179.796 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.481 HG23 ' H ' ' A' ' 35' ' ' GLN . 12.5 t -57.44 157.22 6.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.181 -179.697 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 m -58.01 -30.93 66.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.801 179.844 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 m -67.37 -32.37 73.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.774 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.619 ' OE1' HG13 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -78.02 -34.96 50.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.91 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.611 HD22 HG23 ' A' ' 31' ' ' VAL . 3.8 mm? -52.79 -48.29 66.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.062 0.458 . . . . 0.0 109.896 179.508 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.513 HD12 ' HD2' ' A' ' 41' ' ' HIS . 2.8 pp -80.0 -22.35 42.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.224 178.9 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.5 t -59.28 -47.86 83.79 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.698 179.699 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.644 HG21 HG12 ' A' ' 106' ' ' VAL . 2.2 m -72.34 -36.86 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.023 179.822 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.724 ' HA ' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -64.55 -22.69 67.04 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.144 179.454 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.513 ' HD2' HD12 ' A' ' 37' ' ' LEU . 35.3 m-70 -83.6 -35.23 24.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.398 179.368 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 1.2 pp0? -81.85 -35.42 29.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.875 ' HB3' HD21 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -74.38 -66.63 0.71 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.448 179.806 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 1.025 ' HB2' HD13 ' A' ' 80' ' ' LEU . . . -46.35 -44.44 16.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.588 179.865 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -52.73 -50.38 63.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.848 0.356 . . . . 0.0 110.784 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.8 t -71.25 -26.9 63.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.682 179.642 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.543 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -72.57 65.63 0.68 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.449 ' N ' ' CH2' ' A' ' 116' ' ' TRP . . . 175.64 130.67 1.35 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.525 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.686 HD12 ' HB3' ' A' ' 53' ' ' GLN . 2.7 mm? -83.18 136.31 43.68 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.52 0.2 . . . . 0.0 110.675 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 33.0 Cg_exo -58.25 -74.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.323 2.016 . . . . 0.0 112.441 -179.766 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.49 -74.81 0.18 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.857 0.36 . . . . 0.0 111.267 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.88 -38.92 62.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.353 -179.584 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.686 ' HB3' HD12 ' A' ' 49' ' ' LEU . 17.9 mt-30 -57.28 -33.36 67.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.628 ' HA ' HG12 ' A' ' 57' ' ' VAL . 22.8 t-80 -90.13 -39.88 12.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -56.3 -21.65 25.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.494 -179.725 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.54 -58.59 1.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.956 -179.747 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.861 HG23 HD12 ' A' ' 65' ' ' LEU . 10.9 p -56.19 -18.98 6.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.25 -179.32 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.7 p -112.77 -41.41 3.8 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.24 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.72 -9.83 39.28 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -178.886 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -124.58 -62.4 1.26 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.683 0.277 . . . . 0.0 111.611 -179.544 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.95 150.01 0.78 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.782 -179.54 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.66 160.17 48.94 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.762 2.308 . . . . 0.0 112.485 -179.829 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -49.54 -39.34 34.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.192 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 p -56.97 -47.05 81.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.92 0.391 . . . . 0.0 110.716 179.846 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.861 HD12 HG23 ' A' ' 57' ' ' VAL . 1.4 tm? -63.4 -34.98 78.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.407 179.625 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 69' ' ' TYR . 85.0 mtt180 -72.08 -32.77 67.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.78 179.662 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -56.21 -43.96 79.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -74.03 -26.2 60.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.225 -179.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.4 ' HB3' ' O ' ' A' ' 66' ' ' ARG . 8.0 t80 -55.41 -58.58 7.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.001 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -69.5 -27.94 65.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 -179.773 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -68.43 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 111.14 -179.857 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.721 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.4 pp -53.7 -39.18 64.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.06 -179.861 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.721 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.4 t80 -69.84 -29.55 66.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.749 179.877 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.73 -45.49 70.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.97 0.414 . . . . 0.0 110.336 179.599 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -75.19 -22.18 58.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.753 179.46 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.786 HG23 ' CD1' ' A' ' 43' ' ' LEU . 81.8 m -77.28 -35.97 54.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.057 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -75.04 -24.7 58.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.396 -179.713 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.12 -33.92 13.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.343 -179.715 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.527 HG22 ' HA ' ' A' ' 76' ' ' THR . 13.9 t -64.2 -47.13 80.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.089 -179.784 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 1.025 HD13 ' HB2' ' A' ' 44' ' ' ALA . 30.8 mt -62.12 -37.98 87.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.974 -179.8 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -55.24 -35.5 65.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.012 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 34.5 mtp -70.12 -31.36 68.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.462 ' HB2' ' HE1' ' A' ' 109' ' ' MET . . . -68.73 -50.47 50.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.82 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.473 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 4.1 t70 -86.07 51.29 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.569 ' CA ' HG21 ' A' ' 91' ' ' THR . 1.9 tpp -130.26 -46.3 1.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.217 -179.899 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -59.52 -19.29 47.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.956 -179.359 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.789 ' HB2' HG22 ' A' ' 91' ' ' THR . 37.5 m80 -66.62 71.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.987 0.422 . . . . 0.0 111.029 -179.838 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.45 ' HA ' ' HB3' ' A' ' 93' ' ' ALA . 1.5 mtm180 -51.24 -25.2 5.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.545 -179.839 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -90.16 -29.93 17.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.703 -179.383 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.4 ' HB2' ' HB3' ' A' ' 87' ' ' HIS . 2.3 mtm -97.76 -58.74 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.673 0.273 . . . . 0.0 111.535 -179.489 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.789 HG22 ' HB2' ' A' ' 87' ' ' HIS . 10.0 t -98.31 -168.43 1.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.078 -179.571 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.95 95.77 1.92 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.641 -179.826 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.45 ' HB3' ' HA ' ' A' ' 88' ' ' ARG . . . -96.48 34.4 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.328 . . . . 0.0 111.235 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 96' ' ' ILE . 58.2 m -99.6 -114.64 0.16 Allowed 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.787 -179.853 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.56 75.23 0.06 OUTLIER Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.567 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 94' ' ' SER . 13.1 pt -108.16 -174.64 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 111.152 -179.84 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -45.53 167.45 0.12 Allowed Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.246 179.856 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -72.4 55.7 2.58 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.859 2.373 . . . . 0.0 112.568 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.97 125.16 1.64 Allowed Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.545 -0.836 . . . . 0.0 113.037 179.601 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.521 ' HE3' ' O ' ' A' ' 101' ' ' LEU . 1.1 ttp -144.15 140.97 29.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 0.0 110.583 179.76 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.641 HD13 ' HE1' ' A' ' 103' ' ' HIS . 1.0 OUTLIER -85.66 134.12 40.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.588 179.74 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 101' ' ' LEU . 52.9 Cg_exo -55.37 -22.73 34.98 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.597 2.198 . . . . 0.0 112.906 -179.634 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.641 ' HE1' HD13 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -88.65 -8.87 53.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.574 -179.623 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -70.34 -33.79 71.9 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.839 0.352 . . . . 0.0 110.732 179.803 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.508 ' OD1' HG13 ' A' ' 106' ' ' VAL . 8.0 p30 -71.97 -49.21 39.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.938 179.883 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.644 HG12 HG21 ' A' ' 39' ' ' VAL . 31.7 m -57.16 -35.89 49.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.052 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -61.46 -54.72 39.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.48 179.72 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.07 -25.86 64.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.678 179.574 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.489 ' HE1' ' HA ' ' A' ' 80' ' ' LEU . 3.1 ttm -59.18 -66.05 0.57 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.787 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.511 ' O ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -52.44 -29.76 26.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.811 179.892 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.3 m -58.04 -38.09 75.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.437 179.472 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.625 ' HB3' HD11 ' A' ' 43' ' ' LEU . . . -62.34 -47.14 85.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.706 179.638 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.511 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.6 OUTLIER -59.3 -29.49 42.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.739 179.822 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.8 m -58.34 -48.61 79.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.233 179.58 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -80.65 -42.11 22.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.374 179.363 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.489 ' CE2' ' HA ' ' A' ' 47' ' ' ALA . 35.2 m95 -60.02 -51.09 71.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.733 179.773 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.5 t -53.42 -46.06 69.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.48 179.582 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -62.3 -32.02 72.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.5 179.501 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.8 ttt -73.02 -35.72 66.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.609 179.754 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -53.0 -45.18 67.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.768 179.815 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -82.5 -33.92 28.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.848 179.762 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.96 -59.85 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 tp -53.16 -44.51 67.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.502 ' HB3' HD12 ' A' ' 129' ' ' ILE . 17.8 mt-30 -60.91 -40.24 92.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.808 179.859 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.435 ' CD2' ' HB2' ' A' ' 131' ' ' ALA . 0.3 OUTLIER -76.01 -31.62 58.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.792 179.928 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.88 -33.76 59.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 15.6 ttm -61.99 -53.52 54.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 173.5 39.18 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.515 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.502 HD12 ' HB3' ' A' ' 124' ' ' GLN . 26.2 mt -128.99 155.74 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.817 0.341 . . . . 0.0 111.062 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.431 ' N ' HG22 ' A' ' 129' ' ' ILE . 2.7 t-160 -123.64 133.23 53.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.435 ' HB2' ' CD2' ' A' ' 125' ' ' HIS . . . -62.7 150.56 40.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.04 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -136.6 85.35 2.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.259 -0.876 . . . . 0.0 111.084 -179.989 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.788 0.328 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.27 139.98 38.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.731 HG23 ' CD2' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -54.36 160.92 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.925 179.783 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.9 p -56.1 145.02 27.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.094 -179.555 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.5 p -56.57 -33.93 66.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 179.812 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.11 -30.03 68.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.37 179.6 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.616 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -70.96 -40.86 71.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.618 179.654 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.731 ' CD2' HG23 ' A' ' 31' ' ' VAL . 4.3 mm? -52.91 -48.77 66.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.129 179.4 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 pp -81.27 -22.54 38.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.695 179.29 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.441 ' HB3' ' HA ' ' A' ' 35' ' ' GLN . 42.9 t -61.78 -32.75 73.04 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-O 120.886 0.374 . . . . 0.0 110.6 179.756 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.724 HG12 ' HG2' ' A' ' 109' ' ' MET . 2.8 t -86.63 -34.07 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.169 -179.884 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.687 ' HA ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -68.75 -27.13 65.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 110.221 179.641 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -81.11 -35.17 31.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.718 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -36.78 29.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.358 -179.698 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.974 HD13 HG23 ' A' ' 76' ' ' THR . 0.1 OUTLIER -71.59 -62.13 1.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.048 -179.653 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.57 -44.03 56.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.51 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -53.47 -49.72 66.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.055 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.78 -26.56 59.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.587 ' CB ' HG21 ' A' ' 76' ' ' THR . . . -69.59 67.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.196 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.413 ' HA2' ' CH2' ' A' ' 116' ' ' TRP . . . 162.94 130.22 1.1 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.577 179.927 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.671 HD13 ' HB3' ' A' ' 53' ' ' GLN . 14.5 mt -79.58 156.75 75.4 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.566 0.222 . . . . 0.0 110.727 179.852 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 53' ' ' GLN . 10.9 Cg_exo -69.55 -76.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.579 2.186 . . . . 0.0 112.465 -179.642 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.53 -68.77 0.22 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.877 0.37 . . . . 0.0 111.605 -179.814 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -56.07 -45.81 79.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.323 -179.418 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.671 ' HB3' HD13 ' A' ' 49' ' ' LEU . 2.0 mt-30 -55.33 -25.82 37.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.083 -179.887 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.627 ' HA ' HG12 ' A' ' 57' ' ' VAL . 26.7 t-80 -89.26 -33.81 16.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.03 -17.24 62.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.356 -179.761 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.422 ' CD2' ' HG3' ' A' ' 127' ' ' MET . 0.6 OUTLIER -99.32 -48.03 4.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.759 0.314 . . . . 0.0 111.044 -179.821 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.851 HG23 HD12 ' A' ' 65' ' ' LEU . 14.2 p -68.44 -9.9 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -179.144 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -124.36 -38.12 2.46 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.37 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.56 -9.77 43.05 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.016 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -130.1 -62.44 0.94 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.764 -179.463 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.26 149.81 0.43 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.915 -179.341 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.11 160.2 48.0 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.694 2.263 . . . . 0.0 112.244 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.434 ' HG2' ' N ' ' A' ' 64' ' ' SER . 2.6 pm0 -50.37 -30.49 12.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.117 -179.899 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.434 ' N ' ' HG2' ' A' ' 63' ' ' GLN . 30.7 t -60.75 -46.0 92.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.47 179.724 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.851 HD12 HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -68.99 -34.41 75.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.419 179.569 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -69.06 -37.28 78.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.561 179.652 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -59.47 -36.21 75.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.617 179.741 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -68.22 -35.11 77.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.742 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -54.56 -67.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.314 -179.754 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.31 -30.76 70.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.104 -179.741 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -60.15 -65.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.841 HD12 ' N ' ' A' ' 73' ' ' TYR . 4.5 pp -56.38 -36.97 69.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.21 -179.759 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.841 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.7 t80 -72.18 -33.47 67.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.122 -179.867 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.2 m -53.39 -38.63 63.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.003 0.43 . . . . 0.0 110.378 179.655 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -78.58 -24.82 45.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.684 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.974 HG23 HD13 ' A' ' 43' ' ' LEU . 98.9 m -73.37 -46.52 48.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.096 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -62.46 -37.55 86.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.565 -179.336 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.1 -27.9 48.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.416 -179.487 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.421 HG22 ' HB2' ' A' ' 108' ' ' ASP . 1.0 OUTLIER -70.59 -48.33 55.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.121 -179.848 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.687 HD23 ' HA ' ' A' ' 40' ' ' ARG . 2.8 mt -56.21 -31.04 63.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.337 . . . . 0.0 110.925 -179.914 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.94 -53.73 54.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.73 179.883 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.416 ' CB ' ' HB3' ' A' ' 105' ' ' ASN . 52.3 mtm -60.35 -20.37 59.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 179.551 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.532 ' HB2' ' CE ' ' A' ' 109' ' ' MET . . . -71.79 -58.5 3.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.092 179.889 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.648 ' O ' HG21 ' A' ' 91' ' ' THR . 1.8 p30 -84.21 54.52 2.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.202 -179.736 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.542 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 2.1 tpp -130.29 -46.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.96 179.894 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -57.16 -22.65 41.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.647 -179.702 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.781 ' HB2' HG22 ' A' ' 91' ' ' THR . 22.1 m80 -67.96 71.24 0.15 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.974 0.416 . . . . 0.0 111.117 -179.767 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.543 ' HA ' ' HB3' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -53.99 -23.77 14.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.404 -179.946 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -89.38 -40.82 12.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.526 -179.466 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.7 mtm -83.97 -65.21 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.575 -179.431 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.781 HG22 ' HB2' ' A' ' 87' ' ' HIS . 11.5 t -93.44 -170.16 2.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 111.152 -179.499 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.95 93.63 1.65 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.618 -179.767 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.543 ' HB3' ' HA ' ' A' ' 88' ' ' ARG . . . -94.03 34.4 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 111.259 179.881 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 96' ' ' ILE . 19.2 p -99.63 -114.28 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.663 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.76 77.68 0.01 OUTLIER Glycine 0 C--N 1.336 0.57 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.542 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 94' ' ' SER . 43.2 pt -112.29 -174.5 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.778 0.323 . . . . 0.0 111.168 -179.86 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.411 ' HB2' ' CD ' ' A' ' 98' ' ' PRO . 1.1 p-10 -46.7 168.01 0.14 Allowed Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.975 179.775 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.411 ' CD ' ' HB2' ' A' ' 97' ' ' ASN . 16.1 Cg_exo -68.29 56.07 0.83 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.782 2.321 . . . . 0.0 112.528 -179.812 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 70.42 125.13 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.694 179.689 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.549 ' HE3' ' O ' ' A' ' 101' ' ' LEU . 1.1 ptm -134.31 165.53 24.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.798 179.864 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.554 HD12 ' CG ' ' A' ' 104' ' ' GLU . 6.0 mt -89.08 147.55 38.87 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.544 179.721 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.68 -40.29 5.63 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.604 2.203 . . . . 0.0 112.775 -179.497 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.63 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.5 OUTLIER -78.93 -8.77 59.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.763 -179.446 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.554 ' CG ' HD12 ' A' ' 101' ' ' LEU . 1.1 mm-40 -62.63 -36.29 82.34 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.985 0.421 . . . . 0.0 110.61 179.665 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.551 ' OD1' HG13 ' A' ' 106' ' ' VAL . 7.9 p30 -79.01 -49.43 12.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.275 -179.78 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.63 HG22 ' HA ' ' A' ' 103' ' ' HIS . 6.5 m -59.23 -46.15 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.477 -179.607 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.458 ' N ' HG23 ' A' ' 106' ' ' VAL . 83.3 m-20 -61.56 -56.98 14.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.98 0.419 . . . . 0.0 110.537 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.421 ' HB2' HG22 ' A' ' 79' ' ' THR . 79.8 m-20 -59.7 -20.41 56.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.833 179.644 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.724 ' HG2' HG12 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -66.7 -54.56 21.76 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.875 0.369 . . . . 0.0 110.625 179.846 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.518 ' O ' HG22 ' A' ' 113' ' ' ILE . 1.8 mtt85 -55.63 -26.7 45.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.507 179.63 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 t -65.41 -38.42 89.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.513 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.7 ' HB3' HD21 ' A' ' 43' ' ' LEU . . . -61.97 -45.62 92.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.707 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 110' ' ' ARG . 0.5 OUTLIER -62.01 -27.72 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.792 179.852 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 90.0 m -61.73 -36.91 82.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.988 0.423 . . . . 0.0 110.221 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -84.44 -42.47 15.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.417 179.501 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.497 ' CD1' HD13 ' A' ' 72' ' ' LEU . 64.5 m95 -66.19 -50.44 63.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.614 179.607 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.3 m -57.74 -51.07 71.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.477 179.617 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -56.82 -30.9 64.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.42 179.55 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 3.2 ttt -71.65 -34.38 69.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.417 179.595 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -42.07 70.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.591 179.689 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -82.1 -38.17 25.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.922 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.97 -59.65 2.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.799 HD21 ' HB ' ' A' ' 57' ' ' VAL . 5.1 tp -52.86 -39.61 62.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -63.03 -54.29 40.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.796 179.861 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -61.58 -38.29 87.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.92 -31.66 69.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.422 ' HG3' ' CD2' ' A' ' 56' ' ' PHE . 10.0 ttm -58.98 -38.21 78.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 144.94 44.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.454 HG22 ' N ' ' A' ' 130' ' ' HIS . 20.9 mt -133.27 156.75 42.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.812 0.339 . . . . 0.0 111.085 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.454 ' N ' HG22 ' A' ' 129' ' ' ILE . 44.2 m80 -134.14 124.62 26.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -133.17 153.2 51.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.093 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -140.83 81.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.123 -179.948 . . . . . . . . 0 0 . 1 stop_ save_