data_2m9h_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 2m9h _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.686 0.279 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 t -61.73 -21.28 64.37 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-O 120.741 0.305 . . . . 0.0 111.197 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -55.57 -52.44 63.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -56.48 -32.32 64.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.423 ' HA ' HG12 ' A' ' 34' ' ' ILE . 18.2 mt-10 -69.99 -32.45 70.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.676 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.7 -35.41 70.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.075 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.5 mt -70.79 -41.37 77.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.902 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.423 HG12 ' HA ' ' A' ' 31' ' ' GLU . 35.3 pt -65.23 -37.98 81.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.558 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -71.66 -34.62 69.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.118 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.419 ' HA3' ' CG1' ' A' ' 50' ' ' ILE . . . -73.63 -39.74 48.21 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.245 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.8 -24.45 58.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.719 0.295 . . . . 0.0 110.989 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.03 -15.91 37.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.571 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -102.79 -51.28 3.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.78 0.324 . . . . 0.0 111.555 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.42 ' CE2' HG12 ' A' ' 50' ' ' ILE . 3.0 p90 -130.18 136.22 49.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.8 p -159.0 33.37 0.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -80.79 85.38 6.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 170.35 154.61 9.59 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.565 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.75 -21.12 60.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.742 0.306 . . . . 0.0 111.183 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -142.4 85.1 1.89 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.635 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -24.23 61.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.493 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.435 ' O ' HG23 ' A' ' 50' ' ' ILE . 26.4 m-85 -63.74 -50.41 69.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.786 0.327 . . . . 0.0 111.654 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -40.6 74.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.8 0.334 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -65.87 -49.53 67.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.793 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.438 HG22 HD11 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.62 -38.68 72.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.736 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.485 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 31.2 t80 -60.48 -46.79 88.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.624 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.432 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 28.0 m-85 -68.35 -23.49 64.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.51 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.82 -52.89 9.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 111.204 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.485 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -79.44 -0.61 33.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.865 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -53.27 105.7 0.14 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-O 121.053 0.454 . . . . 0.0 111.037 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 168.83 -33.4 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.732 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.2 m -74.16 -24.88 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.487 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.18 -78.29 0.58 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.25 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.108 -179.72 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.696 0.284 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 85.0 t -56.03 -33.47 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.71 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.43 -50.44 73.58 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.132 0.492 . . . . 0.0 109.919 179.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.458 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 4.2 mm100 -58.23 -37.54 75.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.777 178.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.543 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -56.61 -50.2 72.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.343 179.235 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -61.53 -28.75 69.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.085 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.39 -49.51 66.58 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.492 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.543 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -75.55 -32.34 60.38 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.312 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -72.35 -28.32 62.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.608 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -78.12 -39.96 39.65 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.963 0.411 . . . . 0.0 110.58 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -75.88 -27.69 62.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.441 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.3 m -78.56 -45.68 21.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.34 . . . . 0.0 110.863 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 mm? . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.544 0.211 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.1 m -49.45 -28.82 5.69 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.842 0.353 . . . . 0.0 110.841 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.456 ' HG3' ' CD1' ' A' ' 58' ' ' TRP . 1.4 tm-20 -58.14 -51.26 70.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.795 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -56.37 -37.23 69.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.899 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.68 -34.54 75.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.013 0.435 . . . . 0.0 110.332 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.43 -35.01 70.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.368 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.443 HG12 ' CE2' ' A' ' 54' ' ' TYR . 3.6 mt -68.11 -45.46 83.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.773 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.0 pt -61.6 -39.75 84.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.659 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -41.33 76.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.115 0.483 . . . . 0.0 109.805 179.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.21 -46.23 93.53 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.81 -0.709 . . . . 0.0 111.896 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.77 -36.5 81.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.946 0.403 . . . . 0.0 110.786 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.64 -34.24 72.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.173 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -100.99 -22.42 14.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.465 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -108.0 125.41 51.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.773 0.32 . . . . 0.0 111.06 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -171.89 40.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.822 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.99 51.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.81 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -170.93 178.03 43.61 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.547 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -77.28 -30.79 54.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -126.95 75.87 1.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.12 -26.4 64.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.463 ' CE1' ' NE1' ' A' ' 71' ' ' TRP . 27.8 m-85 -66.24 -44.68 83.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.817 0.341 . . . . 0.0 111.144 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -70.33 -48.84 54.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.766 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -50.56 73.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.502 HG23 HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -62.08 -37.69 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.647 179.714 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.427 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 18.0 t80 -54.08 -51.99 62.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.865 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -68.33 -29.13 67.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.198 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.64 -52.05 35.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.546 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.443 ' CE2' HG12 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -78.61 -0.61 30.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.611 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -53.76 91.56 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.109 0 CA-C-O 120.936 0.398 . . . . 0.0 111.012 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.4 p -174.08 -41.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.648 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.96 -44.82 92.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.997 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.582 ' CE3' ' HA ' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -89.24 -161.22 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.555 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.332 -0.183 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.474 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.756 0.312 . . . . 0.0 111.338 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.8 t -57.77 -37.45 59.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.129 0.49 . . . . 0.0 109.908 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -41.81 79.12 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.43 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.4 OUTLIER -60.98 -37.54 82.82 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.34 178.515 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.57 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -54.33 -50.07 68.24 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.015 179.087 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -63.33 -28.44 70.01 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.739 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -49.63 67.71 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.291 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.57 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -75.0 -33.01 61.78 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.165 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.463 ' NE1' ' CE1' ' A' ' 47' ' ' PHE . 28.6 t-105 -71.25 -30.62 66.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.409 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -72.32 -48.0 45.47 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.119 0.485 . . . . 0.0 110.281 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.16 -32.54 84.48 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.094 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 57.9 m -73.66 -36.64 65.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.616 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.3 -31.65 14.92 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-O 120.808 0.337 . . . . 0.0 110.665 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.426 ' HB3' ' CD2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -56.28 -51.41 68.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.909 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -56.55 -35.37 68.05 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.979 0.418 . . . . 0.0 110.442 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.48 ' O ' HG13 ' A' ' 34' ' ' ILE . 2.9 mm-40 -68.42 -29.32 67.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.436 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.37 -32.82 62.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.811 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.7 mt -72.06 -44.81 65.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.702 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 31' ' ' GLU . 0.9 OUTLIER -64.71 -39.02 84.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.299 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -73.33 -39.01 65.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.114 0.483 . . . . 0.0 109.751 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.411 ' HA3' ' CG1' ' A' ' 50' ' ' ILE . . . -64.43 -45.22 93.86 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.687 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.401 ' CD1' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -61.52 -42.26 98.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.568 179.562 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.08 -17.52 64.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.55 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -124.53 34.88 4.92 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -137.69 -91.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.889 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.7 p 43.5 70.1 0.34 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.887 0.375 . . . . 0.0 111.5 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -118.27 37.4 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.81 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 158.84 -163.25 33.08 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.77 32.17 2.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.764 0.316 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.2 50.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.86 -27.81 53.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.4 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 31.3 m-85 -60.32 -48.15 82.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.31 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.19 -49.02 54.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.945 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -50.42 73.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.664 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.411 ' CG1' ' HA3' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -59.05 -37.56 68.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.412 179.482 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.534 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 9.6 t80 -56.46 -44.45 80.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.601 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -67.3 -32.04 72.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.608 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.89 -52.24 45.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.385 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.534 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.7 OUTLIER -78.67 -0.26 29.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.447 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -53.68 -23.11 10.45 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.421 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.55 -37.73 71.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.643 0.259 . . . . 0.0 111.424 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.5 p -80.68 -18.87 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.721 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.426 ' CD2' ' HB3' ' A' ' 29' ' ' GLU . 1.8 t-105 -130.53 -164.82 1.47 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.869 0.366 . . . . 0.0 111.341 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 50.2 m80 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.062 -179.895 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.842 0.353 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 83.5 t -56.46 -34.31 40.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.965 0.412 . . . . 0.0 110.385 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 79.0 p -58.2 -43.83 87.8 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.426 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.5 OUTLIER -61.14 -35.94 78.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.704 178.658 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.592 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 2.2 tm? -55.58 -50.53 69.84 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.058 179.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -62.94 -29.16 70.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.781 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -49.33 67.97 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.271 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.592 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.3 -36.2 63.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.165 0.507 . . . . 0.0 109.841 179.349 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -70.92 -28.74 64.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.702 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -75.43 -41.27 56.35 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.952 0.406 . . . . 0.0 110.155 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.46 -37.04 93.93 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.952 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.6 p -74.05 -35.84 64.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.657 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 tp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.043 179.868 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.76 0.315 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.7 m -54.94 -32.29 61.17 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.141 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.458 ' O ' HG13 ' A' ' 33' ' ' ILE . 1.6 tt0 -60.16 -53.07 62.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.389 . . . . 0.0 110.526 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.51 -43.11 95.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.499 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.418 ' HA ' HG12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -63.21 -29.75 71.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.478 179.587 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.04 -42.63 72.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.046 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 29' ' ' GLU . 3.6 mt -64.63 -41.27 91.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.129 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 35' ' ' LYS . 37.2 pt -65.67 -40.95 89.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.781 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.419 ' N ' HG13 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -66.84 -39.83 87.75 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.207 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.61 -49.65 67.66 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.485 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.417 ' CD2' HG21 ' A' ' 50' ' ' ILE . 1.2 mm? -55.29 -37.16 66.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 110.517 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.56 -19.43 62.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.324 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.402 ' O ' ' CD2' ' A' ' 40' ' ' PHE . 4.1 mtt180 -126.23 25.54 6.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.541 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.402 ' CD2' ' O ' ' A' ' 39' ' ' ARG . 38.0 m-85 -162.53 91.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.817 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 p -156.63 73.52 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -115.86 30.81 7.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 179.94 -157.08 19.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.547 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.03 -26.14 15.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 111.018 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -94.99 42.5 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -65.25 -42.45 93.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.403 ' O ' HG23 ' A' ' 50' ' ' ILE . 37.7 m-85 -63.11 -46.76 85.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.178 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -70.17 -46.57 64.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.059 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -57.88 -50.36 73.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.907 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.417 HG21 ' CD2' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -60.97 -38.28 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.634 179.742 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.452 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 31.1 t80 -60.57 -41.35 94.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.634 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -68.37 -34.83 76.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.315 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.74 -52.74 18.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.96 0.409 . . . . 0.0 110.928 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.464 ' CD1' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -79.38 1.77 24.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.575 179.423 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.23 -25.65 14.92 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-O 120.739 0.304 . . . . 0.0 111.24 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 86.6 p -56.99 -25.25 58.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.731 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 43.5 t -80.84 -57.69 4.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.046 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.468 ' CE3' ' HA ' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -57.77 -166.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.967 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.532 0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.371 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.885 0.374 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.7 t -55.18 -35.89 37.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.512 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 m -57.06 -45.17 83.45 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.349 0.595 . . . . 0.0 109.551 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.438 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 58.6 mm-40 -60.19 -35.35 75.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.521 178.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.582 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.4 OUTLIER -55.38 -50.14 70.47 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.175 179.063 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.11 -28.43 70.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.604 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -49.41 68.01 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.654 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.582 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.77 -31.87 61.89 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.132 179.631 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -76.19 -30.62 58.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -38.73 56.88 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.981 0.42 . . . . 0.0 110.467 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -72.49 -34.13 60.55 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.15 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.2 p -71.57 -42.43 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.668 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.225 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.614 0.245 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.38 -29.09 63.77 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.837 0.351 . . . . 0.0 111.116 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.408 ' O ' HG13 ' A' ' 33' ' ' ILE . 2.5 pp20? -58.89 -49.5 77.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -56.29 -30.07 62.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.768 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.438 ' HA ' HG12 ' A' ' 34' ' ' ILE . 59.6 tt0 -71.89 -32.31 67.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.076 0.465 . . . . 0.0 110.476 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.58 -33.38 66.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.069 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.426 ' CD1' HD23 ' A' ' 67' ' ' LEU . 6.4 mt -73.47 -41.26 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.946 0.403 . . . . 0.0 110.607 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.438 HG12 ' HA ' ' A' ' 31' ' ' GLU . 40.8 pt -64.6 -38.22 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.575 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.401 ' N ' HG13 ' A' ' 34' ' ' ILE . 14.8 tttt -71.73 -38.39 70.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.074 0.464 . . . . 0.0 110.023 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.404 ' HA3' ' CG1' ' A' ' 50' ' ' ILE . . . -70.24 -38.51 71.84 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.896 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.9 mt -68.28 -33.62 74.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.902 0.382 . . . . 0.0 110.79 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.94 -23.94 60.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.39 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.03 -28.13 12.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.505 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -108.52 118.09 35.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.828 0.347 . . . . 0.0 111.068 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.413 ' HA ' ' HG2' ' A' ' 46' ' ' ARG . 0.6 OUTLIER -158.25 64.89 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.996 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.64 29.5 7.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.06 -151.11 5.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.53 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -112.65 -30.36 7.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.716 0.293 . . . . 0.0 111.06 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -115.37 70.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.919 0.39 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.413 ' HG2' ' HA ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -58.51 -28.37 65.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.435 ' CE1' ' CZ2' ' A' ' 71' ' ' TRP . 25.5 m-85 -60.61 -47.31 86.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.906 0.384 . . . . 0.0 111.249 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -69.97 -48.46 58.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.801 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -57.84 -50.24 73.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.428 HG23 HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -59.7 -38.51 76.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.715 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.487 ' CD1' HD21 ' A' ' 67' ' ' LEU . 36.2 t80 -60.22 -37.31 79.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.676 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -65.52 -50.75 64.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.746 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.26 -45.49 91.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.909 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.469 ' CE2' ' HB ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -78.02 -4.35 46.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.07 179.705 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -54.83 91.52 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.878 0.37 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 p 177.29 -37.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.591 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.469 ' HB ' ' CE2' ' A' ' 54' ' ' TYR . 53.4 t -66.59 -67.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.091 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.431 ' CE3' ' HA ' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -113.62 120.66 41.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.231 -179.551 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.77 0.319 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.6 p -54.12 -32.88 23.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.991 0.424 . . . . 0.0 110.516 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.7 m -58.55 -39.98 81.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.015 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -63.04 -32.74 74.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.972 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.652 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -62.6 -50.56 70.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.964 179.489 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -62.41 -27.94 69.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.04 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -68.84 -50.22 51.84 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.492 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.652 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.1 p-80 -82.42 -16.08 50.29 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.416 -0.513 . . . . 0.0 110.135 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.435 ' CZ2' ' CE1' ' A' ' 47' ' ' PHE . 27.0 t-105 -82.32 -33.55 28.92 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -39.5 60.24 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.937 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -70.48 -38.3 69.34 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.983 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.2 m -70.73 -34.46 71.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.874 0.369 . . . . 0.0 110.596 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.2 tt . . . . . 0 C--N 1.332 -0.175 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.838 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -51.94 -29.1 18.9 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-O 120.825 0.345 . . . . 0.0 110.782 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.403 ' OE2' ' CE3' ' A' ' 58' ' ' TRP . 1.5 tt0 -64.62 -50.63 66.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.689 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.36 -29.47 61.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.765 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.442 ' HA ' HG12 ' A' ' 34' ' ' ILE . 12.7 mm-40 -67.31 -36.59 81.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.109 0.481 . . . . 0.0 110.496 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.02 -35.03 71.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.917 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.0 mt -71.32 -41.01 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.939 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.442 HG12 ' HA ' ' A' ' 31' ' ' GLU . 40.1 pt -65.71 -36.48 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -36.35 66.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.24 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.404 ' HA3' HG13 ' A' ' 50' ' ' ILE . . . -64.54 -51.25 53.81 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.335 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.417 HD21 ' CD1' ' A' ' 47' ' ' PHE . 0.8 OUTLIER -70.38 -31.73 69.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.942 0.401 . . . . 0.0 110.814 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.85 -25.84 68.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.087 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -98.88 -42.7 7.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.456 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.465 ' CE2' HG12 ' A' ' 50' ' ' ILE . 32.4 p90 -143.58 129.7 19.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.829 0.347 . . . . 0.0 111.481 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.5 t 177.51 55.84 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.739 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -103.5 49.27 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.04 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.24 11.59 3.56 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.792 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.31 24.2 3.69 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.689 0.28 . . . . 0.0 111.205 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -178.59 38.21 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.752 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -72.98 -23.3 60.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.442 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.417 ' CD1' HD21 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -44.65 -42.06 7.18 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.662 0.267 . . . . 0.0 111.591 -179.033 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -70.31 -52.49 22.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.814 0.34 . . . . 0.0 111.283 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.68 -50.36 73.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.984 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.465 HG12 ' CE2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -58.33 -39.5 74.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.533 179.789 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.494 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 38.6 t80 -54.74 -49.16 71.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.42 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -68.38 -27.61 66.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.003 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.34 -52.17 20.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.32 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.494 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -78.39 -0.83 30.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.417 179.765 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -53.14 93.17 0.01 OUTLIER 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.823 0.344 . . . . 0.0 111.094 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.5 p -177.41 -40.46 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.639 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.2 m -65.69 -29.57 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.403 ' CE3' ' OE2' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -113.16 146.27 39.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.071 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.799 0.333 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.6 t -54.45 -37.26 37.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.64 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.32 -47.73 84.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.328 0.585 . . . . 0.0 109.491 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.433 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 4.6 mm-40 -59.58 -35.66 74.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.519 178.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.591 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -54.79 -50.11 69.32 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.159 179.087 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -63.34 -28.56 70.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.556 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -49.58 69.41 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.554 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.591 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.52 -33.29 62.74 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.788 179.507 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -72.79 -28.56 62.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.597 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.66 -41.29 54.38 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.01 0.433 . . . . 0.0 110.51 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -72.86 -28.26 67.29 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.282 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.0 p -78.61 -37.16 42.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.837 0.351 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.107 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.582 0.23 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.9 t -59.2 -38.64 80.39 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-O 120.837 0.351 . . . . 0.0 111.078 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.418 ' O ' HG13 ' A' ' 33' ' ' ILE . 1.9 pt-20 -58.97 -52.65 64.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.055 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.11 -40.1 94.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.427 ' O ' HG13 ' A' ' 34' ' ' ILE . 4.8 tt0 -60.76 -29.64 69.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.691 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.47 -38.8 54.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.803 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 29' ' ' GLU . 1.2 mt -71.89 -37.93 63.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.959 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 31' ' ' GLU . 2.8 pp -69.15 -38.97 78.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.959 0.409 . . . . 0.0 110.161 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.4 ' N ' ' CD1' ' A' ' 34' ' ' ILE . 1.7 tmtm? -72.56 -41.42 65.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.558 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.49 -48.4 85.09 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.639 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -42.5 86.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.847 0.356 . . . . 0.0 110.356 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.72 -29.42 59.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.987 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.406 ' O ' ' CG ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -117.94 27.59 8.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.254 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.406 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 35.1 m-85 -160.21 93.14 1.03 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.821 0.343 . . . . 0.0 110.853 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.5 p -161.99 77.46 0.51 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.09 -36.52 5.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.16 -161.76 17.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.534 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -99.91 32.72 2.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.751 0.31 . . . . 0.0 110.95 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -156.66 78.24 0.92 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.984 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.8 -28.5 12.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.805 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.415 ' CD1' ' CD1' ' A' ' 71' ' ' TRP . 39.4 m-85 -63.95 -50.03 70.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -42.86 71.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.844 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -62.73 -50.44 71.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -59.07 -38.37 73.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.068 0.461 . . . . 0.0 110.595 179.755 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.469 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 64.7 t80 -60.42 -39.96 89.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.749 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -68.33 -36.09 78.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.44 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.04 -52.65 22.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.921 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.482 ' CD1' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -79.3 0.85 27.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.213 179.288 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.06 94.04 0.01 OUTLIER 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.942 0.401 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.81 -35.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.579 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.8 t -77.39 -58.35 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.156 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.467 ' CE3' ' HA ' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -68.77 -74.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.937 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 28.7 t60 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.088 -179.856 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.094 0 CA-C-O 120.81 0.338 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.5 t -60.12 -35.41 61.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.0 m -59.63 -50.01 75.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.174 0.511 . . . . 0.0 110.178 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 69' ' ' ASP . 1.6 tt0 -60.49 -32.09 71.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.911 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.653 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -64.59 -50.74 66.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.474 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -61.3 -28.05 68.92 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.819 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 66' ' ' GLN . 7.5 m-20 -66.2 -50.02 65.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.569 -0.742 . . . . 0.0 112.114 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.653 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.2 p-80 -79.84 -15.29 57.68 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.298 -0.561 . . . . 0.0 111.114 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.451 ' CE3' ' HA ' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -86.56 -32.02 20.9 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 177.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -77.21 -32.78 56.19 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.075 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.53 -40.44 12.83 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.168 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.9 m -67.26 -44.25 79.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.84 0.352 . . . . 0.0 110.623 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.789 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.647 0.261 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.8 t -51.16 -47.13 62.21 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.827 0.346 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.444 ' HG2' ' N ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -63.6 -43.45 96.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.321 179.561 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.444 ' N ' ' HG2' ' A' ' 29' ' ' GLU . 8.3 m-20 -60.33 -36.61 78.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.51 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.404 ' HA ' HG23 ' A' ' 34' ' ' ILE . 82.0 mt-10 -68.94 -29.87 68.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.482 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.51 77.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.403 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.5 mt -64.3 -50.78 75.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.59 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.404 HG23 ' HA ' ' A' ' 31' ' ' GLU . 6.5 tp -58.82 -40.25 79.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.722 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -33.5 68.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.119 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.04 -42.5 84.64 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.992 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 mt -67.21 -39.94 86.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.8 0.334 . . . . 0.0 110.806 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.36 -14.55 61.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.782 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.37 -21.59 11.3 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -90.58 -87.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.573 0.225 . . . . 0.0 111.039 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.5 p 46.15 43.99 11.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.832 0.348 . . . . 0.0 111.32 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.74 38.93 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.025 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 162.33 -166.54 36.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -103.48 37.67 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -169.35 41.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -25.88 43.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.478 ' O ' HG21 ' A' ' 50' ' ' ILE . 60.0 m-85 -60.48 -49.49 77.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.903 0.382 . . . . 0.0 110.961 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -44.93 67.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.745 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.55 -50.57 73.31 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.806 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.478 HG21 ' O ' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -59.96 -37.56 72.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.969 0.414 . . . . 0.0 110.332 179.42 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.449 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 60.4 t80 -53.04 -52.94 56.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.411 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.419 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . 31.5 m-85 -66.1 -25.72 67.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.583 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.8 -51.53 32.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.959 0.409 . . . . 0.0 110.852 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.461 ' CD1' ' O ' ' A' ' 54' ' ' TYR . 1.0 OUTLIER -78.54 5.11 11.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.073 -179.901 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.419 ' HG3' ' HA ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -52.86 -23.29 6.73 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.249 -0.282 . . . . 0.0 111.255 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 90.4 p -78.65 -59.99 2.56 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.617 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.3 p -47.67 -31.62 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.701 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -115.7 -159.86 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.597 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 28.1 m80 . . . . . 0 CA--C 1.53 0.198 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.475 ' HB ' ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.807 0.337 . . . . 0.0 111.286 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 63.3 t -56.63 -33.27 39.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.133 0.492 . . . . 0.0 109.744 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.6 t -60.52 -40.3 90.94 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.475 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 2.9 mm100 -63.05 -37.87 88.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.516 178.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.522 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 3.1 tm? -53.94 -49.17 69.29 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.636 178.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.66 -28.71 70.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.713 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.43 -49.51 66.51 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.106 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.522 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -76.74 -30.92 56.81 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 46.5 t90 -71.73 -33.34 68.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.267 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -76.07 -39.64 54.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.22 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.26 -28.39 72.73 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.213 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 48.5 m -77.79 -42.11 35.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.808 0.337 . . . . 0.0 110.631 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.8 tp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 179.889 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.739 0.304 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' A' ' 29' ' ' GLU . 51.9 p -56.86 -65.65 0.58 Allowed 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.026 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.404 ' N ' ' OG ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -56.0 -46.9 78.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.142 0.496 . . . . 0.0 110.295 179.572 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.9 -31.02 68.23 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.627 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.472 ' HA ' HG12 ' A' ' 34' ' ' ILE . 55.5 tt0 -66.37 -36.5 83.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.964 0.411 . . . . 0.0 110.527 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.412 ' HB2' ' CG ' ' A' ' 54' ' ' TYR . . . -71.13 -35.69 71.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.442 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 8.0 mt -73.02 -38.72 56.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.771 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.472 HG12 ' HA ' ' A' ' 31' ' ' GLU . 46.0 pt -66.4 -35.62 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-O 121.001 0.429 . . . . 0.0 110.32 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -68.36 -40.02 81.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.034 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.27 -29.4 70.3 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.201 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.422 HD12 ' CD1' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -75.6 -36.28 60.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.978 0.418 . . . . 0.0 110.674 179.824 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.33 -3.14 59.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.655 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -103.63 -42.73 5.56 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -149.75 115.11 5.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.302 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.408 ' CG2' ' HA ' ' A' ' 37' ' ' LEU . 71.4 p -157.79 87.14 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.5 mtmm -113.16 30.71 6.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.758 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.3 -168.01 27.83 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.44 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.81 34.34 5.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -154.01 30.21 0.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -24.44 30.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.028 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.422 ' CD1' HD12 ' A' ' 37' ' ' LEU . 47.7 m-85 -52.78 -45.99 67.37 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.026 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -63.22 -45.2 92.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -57.72 -47.62 81.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.737 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.442 ' CG2' ' HA ' ' A' ' 33' ' ' ILE . 51.9 mt -58.64 -38.98 74.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.703 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.49 ' CD1' HD21 ' A' ' 67' ' ' LEU . 60.7 t80 -58.86 -44.82 91.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.784 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -68.22 -28.52 67.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.115 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.72 -52.51 10.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 110.843 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.476 ' CD1' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -79.39 0.34 29.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.722 179.708 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -53.09 -25.05 11.58 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.67 0.271 . . . . 0.0 111.216 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.74 -18.46 62.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.996 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.0 t -89.74 -75.23 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.842 0.353 . . . . 0.0 111.361 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -117.17 139.9 50.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.446 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.7 m170 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.405 179.649 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.897 0.38 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 68.3 t -52.49 -35.78 20.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -60.74 -48.41 81.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.149 0.499 . . . . 0.0 109.682 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -60.28 -32.52 71.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.893 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.699 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -61.72 -51.08 69.85 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.401 179.742 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -61.78 -28.11 69.22 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.849 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -66.09 -49.99 65.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.707 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.699 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.0 p-80 -79.83 -17.27 53.69 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.076 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.478 ' CE3' ' HA ' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -84.43 -29.83 25.81 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.061 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -79.12 -33.05 44.63 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.155 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.05 -37.02 23.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.445 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.3 p -74.11 -48.25 30.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.794 0.33 . . . . 0.0 111.011 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 tt . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.982 -179.84 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.776 0.322 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.8 t -65.09 -31.7 73.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.261 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.456 ' O ' HG13 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -56.38 -52.85 63.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.954 -179.785 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -61.39 -38.47 87.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' O ' HG13 ' A' ' 34' ' ' ILE . 7.2 mt-10 -68.43 -29.19 67.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.704 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.26 -36.44 69.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.206 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 29' ' ' GLU . 4.0 mt -70.83 -44.2 76.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.61 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 31' ' ' GLU . 2.6 pp -65.94 -41.61 90.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -30.07 62.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.005 0.431 . . . . 0.0 110.079 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.6 -43.8 84.51 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.134 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.428 HD22 ' CE1' ' A' ' 47' ' ' PHE . 3.1 mp -69.06 -42.25 76.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.761 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.05 -21.06 66.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.443 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -104.48 -22.04 13.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.369 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -115.07 126.4 54.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.069 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -168.53 82.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -136.97 32.47 2.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.54 -168.77 48.33 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.561 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 59.71 30.0 19.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.18 94.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.5 ptt-85 -57.93 -26.24 61.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.517 ' O ' HG22 ' A' ' 50' ' ' ILE . 72.0 m-85 -62.81 -49.07 76.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.973 0.416 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -70.54 -48.28 56.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.776 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -59.25 -50.45 73.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -58.75 -37.9 68.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.304 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -62.3 -37.15 84.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.32 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -61.84 -47.41 85.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.336 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.68 -32.22 69.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.095 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.453 ' CE1' ' HB ' ' A' ' 57' ' ' VAL . 2.6 t80 -78.4 -8.72 58.79 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.372 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -53.53 -36.22 61.55 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.689 0.28 . . . . 0.0 111.142 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.8 t -55.59 -23.1 25.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.285 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.453 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 47.6 t -83.52 -73.17 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.341 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -114.09 155.59 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.136 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.883 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.23 0.064 0 N-CA-C 111.437 0.162 . . . . 0.0 111.437 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.7 t -51.22 -27.41 6.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-O 120.93 0.395 . . . . 0.0 110.07 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 t -66.59 -40.06 88.73 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.457 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -64.49 -39.23 93.4 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.464 178.722 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.538 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 2.4 tm? -55.22 -47.1 75.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.793 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -64.65 -28.54 69.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.662 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.66 -49.47 68.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.088 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.538 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -76.71 -30.91 56.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.121 0.486 . . . . 0.0 109.715 179.086 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 20.4 t-105 -73.03 -31.24 64.32 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.308 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.38 -36.96 53.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.446 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.39 -29.32 64.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.253 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.9 m -77.45 -43.63 31.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.759 0.314 . . . . 0.0 110.71 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.557 0.217 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.27 -27.2 44.95 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-O 120.706 0.289 . . . . 0.0 111.144 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.432 ' O ' HG13 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -58.69 -52.7 64.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.919 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -57.65 -40.29 78.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.597 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 34' ' ' ILE . 6.4 mp0 -68.58 -29.47 68.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.685 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.15 -36.27 74.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.438 HG23 HD13 ' A' ' 33' ' ' ILE . 4.0 mt -71.23 -47.28 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.545 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 31' ' ' GLU . 2.8 pp -63.57 -37.82 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.305 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -37.23 65.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.198 0.523 . . . . 0.0 110.032 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.408 ' O ' ' CD1' ' A' ' 40' ' ' PHE . . . -63.64 -47.05 90.34 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.175 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.31 -40.11 77.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.713 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.67 -23.56 59.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.431 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -91.54 -32.87 15.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.245 -179.764 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.431 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -148.84 129.12 13.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 111.367 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.7 t 170.4 84.46 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.502 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -119.39 42.79 2.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.996 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 112.41 178.06 19.84 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.673 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.08 21.68 9.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.687 0.28 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 50.45 87.2 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -23.58 66.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.252 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -45.1 -41.87 8.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.707 0.289 . . . . 0.0 111.734 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -52.18 24.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 111.229 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -50.37 73.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.439 HG23 HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.73 -37.93 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.619 179.678 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.45 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 30.8 t80 -58.41 -41.71 85.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.302 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -68.26 -34.67 76.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.4 -52.43 39.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.3 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.452 ' CD1' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -78.62 -1.17 32.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.374 179.825 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -53.24 -31.2 42.2 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.859 0.361 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 m -63.5 -20.77 65.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.026 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.2 t -80.05 -74.36 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.375 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -121.63 158.46 28.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.234 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.869 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.418 ' OG1' ' HB2' ' A' ' 66' ' ' GLN . 14.5 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.891 0.377 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.7 t -50.59 -32.92 10.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 120.963 0.411 . . . . 0.0 109.987 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.3 m -58.9 -43.13 90.97 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.42 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 15.8 mt-30 -61.54 -36.81 81.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.397 178.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.605 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 1.0 OUTLIER -53.81 -50.02 67.07 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.863 178.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -63.4 -28.53 70.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.612 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -65.46 -49.66 68.27 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.427 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.605 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -75.62 -28.23 58.76 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 178.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 26.1 t-105 -69.65 -35.8 75.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.282 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -40.19 63.08 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.16 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.71 -30.75 72.76 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.107 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.9 m -72.06 -45.68 59.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.815 0.341 . . . . 0.0 110.556 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.73 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -53.27 -41.07 65.16 Favored 'General case' 0 C--N 1.34 0.159 0 CA-C-O 120.893 0.378 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' O ' HG13 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -56.77 -52.6 64.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.96 -179.856 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.82 -42.82 94.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.405 ' HA ' HG12 ' A' ' 34' ' ' ILE . 3.6 tt0 -58.79 -33.35 70.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.56 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.427 ' HA ' ' HG2' ' A' ' 35' ' ' LYS . . . -71.91 -36.86 70.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.986 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 29' ' ' GLU . 1.8 mt -69.72 -39.06 77.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.949 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.406 HG13 ' N ' ' A' ' 35' ' ' LYS . 32.7 pt -66.43 -40.94 87.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.427 ' HG2' ' HA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -72.21 -36.58 69.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.173 0.511 . . . . 0.0 110.102 179.331 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.481 ' HA3' ' CG1' ' A' ' 50' ' ' ILE . . . -70.14 -42.24 67.83 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.119 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -31.72 71.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.835 0.35 . . . . 0.0 110.699 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.83 -23.65 60.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.367 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.1 -25.03 12.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.612 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -113.47 124.44 52.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.33 . . . . 0.0 111.273 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.405 HG22 ' HG2' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -155.76 84.12 1.03 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.891 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -33.02 61.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.047 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.52 86.15 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.788 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 55.61 52.27 11.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.874 0.369 . . . . 0.0 111.205 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -176.87 37.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.405 ' HG2' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER -88.05 -28.63 21.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.993 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.473 ' O ' HG21 ' A' ' 50' ' ' ILE . 29.8 m-85 -58.5 -46.69 86.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.777 -179.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -70.21 -54.72 11.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.953 0.406 . . . . 0.0 111.194 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -44.21 84.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.092 -179.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.481 ' CG1' ' HA3' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -62.09 -41.18 90.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.753 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.49 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 81.3 t80 -56.85 -41.94 78.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.973 0.416 . . . . 0.0 110.778 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -65.23 -43.15 92.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.505 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.22 -53.1 41.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.892 0.377 . . . . 0.0 111.068 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.49 ' CD2' ' HA ' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -79.72 4.09 17.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.491 179.262 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -24.32 9.11 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.691 0.281 . . . . 0.0 111.201 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.1 t -58.1 -26.94 63.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.863 0.363 . . . . 0.0 110.698 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.5 t -76.24 -69.18 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.547 ' CE3' ' HA ' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -71.41 179.86 2.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.71 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.33 179.847 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.87 0.367 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.1 t 73.93 -52.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.522 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.2 -33.23 75.02 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -68.33 -32.69 72.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.302 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.681 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -66.64 -50.83 61.67 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.168 179.635 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -62.81 -27.91 69.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.89 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -66.07 -49.82 66.3 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.248 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.681 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.1 p-80 -82.78 -21.74 34.51 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.079 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 51.4 t-105 -79.73 -30.64 40.94 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.791 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 44.1 ttm-85 -76.69 -46.27 26.25 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.108 0.48 . . . . 0.0 109.936 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.63 -31.01 75.31 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.254 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.9 m -81.84 -28.17 33.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.643 0.258 . . . . 0.0 111.104 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.207 0 CA-C-O 120.929 0.395 . . . . 0.0 111.45 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.57 -24.95 23.26 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-O 120.668 0.27 . . . . 0.0 111.195 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.417 ' HB3' ' CD1' ' A' ' 58' ' ' TRP . 1.7 mp0 -54.52 -52.56 61.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.96 0.41 . . . . 0.0 111.167 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -68.31 -35.27 77.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.47 ' O ' HG13 ' A' ' 34' ' ' ILE . 3.3 mm-40 -73.06 -29.85 63.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.56 -38.36 67.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.49 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.497 HG12 ' CE2' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -68.59 -49.13 67.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.518 179.246 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 31' ' ' GLU . 2.7 pp -56.83 -38.75 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 120.489 -0.484 . . . . 0.0 109.732 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.54 -29.86 62.71 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 177.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.56 -47.84 60.09 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.583 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 37' ' ' LEU . 10.5 mp -71.95 -32.11 66.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 111.027 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.17 -6.39 59.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.744 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.97 -33.18 4.02 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -110.23 92.29 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 111.491 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.428 ' HA ' ' CB ' ' A' ' 46' ' ' ARG . 9.6 t 179.86 91.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.03 27.93 5.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.822 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.94 -71.99 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.408 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 179.06 -38.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.766 0.317 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -134.0 67.82 1.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.073 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.428 ' CB ' ' HA ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -100.29 -24.16 14.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.717 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.469 ' O ' HG22 ' A' ' 50' ' ' ILE . 6.3 m-85 -45.48 -44.54 12.49 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.342 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -31.76 70.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.333 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -50.54 67.97 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.371 179.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -60.35 -37.62 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.886 179.131 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.429 ' CD1' HD21 ' A' ' 67' ' ' LEU . 27.7 t80 -58.2 -39.97 80.34 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.205 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -61.89 -58.97 5.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.209 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.37 -27.38 69.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.295 179.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.497 ' CE2' HG12 ' A' ' 33' ' ' ILE . 22.1 t80 -78.05 -11.16 59.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.179 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -53.38 -30.18 38.49 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.808 0.337 . . . . 0.0 111.135 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.2 t -63.76 -30.76 71.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.426 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 21.6 t -78.35 -55.04 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.171 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.491 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -94.79 -163.4 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.813 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.75 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.799 0.333 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 87.1 t -55.03 -35.01 33.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.97 0.414 . . . . 0.0 110.393 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.6 t -59.21 -42.51 91.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.646 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.447 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 4.0 tp60 -59.86 -38.01 80.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.662 178.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.631 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -56.98 -47.63 80.33 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.095 179.033 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -63.05 -28.25 69.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.74 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -65.31 -49.55 69.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.359 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.631 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.67 -33.72 62.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.223 0.535 . . . . 0.0 109.656 179.308 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.457 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 43.3 t-105 -71.48 -32.15 67.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.651 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.55 -29.84 41.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.538 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.34 -26.59 57.04 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.252 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 51.1 p -85.3 -37.1 20.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.733 0.301 . . . . 0.0 110.951 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.81 -27.29 4.83 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.908 0.385 . . . . 0.0 110.798 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.18 -47.19 46.16 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.049 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -56.51 -39.33 73.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.043 0.449 . . . . 0.0 110.427 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.417 ' HA ' HG22 ' A' ' 34' ' ' ILE . 0.4 OUTLIER -66.17 -29.89 70.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.399 179.396 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.02 -38.03 78.98 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.426 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.8 mt -65.11 -51.17 69.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.534 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.417 HG22 ' HA ' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -57.73 -39.19 69.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.619 -179.864 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -67.27 -40.5 86.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.167 0.508 . . . . 0.0 109.788 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.93 -50.14 62.91 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.691 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mp -59.39 -31.19 69.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.38 . . . . 0.0 110.672 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.61 -30.77 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.43 ' O ' ' CG ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -116.4 27.14 9.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.253 -179.835 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.43 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 56.7 m-85 -158.59 -146.19 0.15 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.694 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.587 ' HA ' ' HB2' ' A' ' 46' ' ' ARG . 2.3 t 45.4 83.7 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.121 0.486 . . . . 0.0 111.721 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -135.86 22.45 3.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.289 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 128.22 155.41 8.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.37 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.19 11.7 8.47 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.2 100.36 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.97 0.414 . . . . 0.0 111.211 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.587 ' HB2' ' HA ' ' A' ' 41' ' ' THR . 4.5 mmp_? -95.14 -23.33 17.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.196 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.416 ' HB3' HD12 ' A' ' 67' ' ' LEU . 31.6 m-85 -44.33 -42.2 6.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.909 -178.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -69.61 -50.31 45.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.807 0.337 . . . . 0.0 111.168 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -50.36 73.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.987 0.422 . . . . 0.0 110.828 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.452 HG22 HD11 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.44 -37.49 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.467 179.707 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.472 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 3.7 t80 -56.37 -48.53 76.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.536 179.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -62.56 -34.53 77.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.41 -52.55 52.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.356 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.472 ' CD2' ' HA ' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -78.93 2.1 21.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.621 179.669 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.2 ttm105 -53.16 -24.96 11.91 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.749 0.309 . . . . 0.0 111.219 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 62.6 m -60.5 -26.15 66.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.725 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 80.1 t -74.84 -72.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.423 ' CE3' ' HA ' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -108.53 164.55 12.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.793 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.438 ' HB ' ' CE1' ' A' ' 51' ' ' TYR . 65.6 p . . . . . 0 CA--C 1.522 -0.101 0 CA-C-O 120.868 0.366 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 63' ' ' THR . 85.5 t 70.53 -52.61 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.981 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.2 p -57.08 -46.05 82.83 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.436 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -62.89 -39.22 93.82 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.298 178.546 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.549 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 1.0 OUTLIER -54.55 -50.25 68.38 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.017 178.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.4 ' O ' ' N ' ' A' ' 72' ' ' ARG . 5.0 m-30 -62.71 -28.38 69.91 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.903 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.11 -49.37 70.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.9 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.549 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -77.18 -29.71 54.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.137 0.494 . . . . 0.0 109.709 178.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -74.21 -29.7 61.86 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.582 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' TYR . 5.2 mtm-85 -77.97 -40.35 39.63 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.035 0.445 . . . . 0.0 110.352 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -72.2 -28.24 68.56 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.209 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.1 p -77.21 -48.2 18.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.351 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.6 mt . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.3 p -53.08 -24.51 10.25 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.355 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.52 ' HG3' ' CZ2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -79.58 -52.46 7.97 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.214 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.31 -28.94 70.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.347 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -71.17 -29.52 65.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.566 179.728 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.29 -36.62 58.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.572 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.444 HD11 HG23 ' A' ' 33' ' ' ILE . 5.4 mt -71.61 -42.2 71.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.716 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 31' ' ' GLU . 2.2 pp -66.52 -39.1 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.336 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -73.54 -36.89 65.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.813 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.402 ' HA3' ' CG1' ' A' ' 50' ' ' ILE . . . -64.89 -52.18 44.52 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.719 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -36.88 78.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.806 0.336 . . . . 0.0 110.458 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.64 -24.67 67.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.419 ' O ' ' CD1' ' A' ' 40' ' ' PHE . 1.4 tmt_? -121.23 26.98 8.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.182 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 39' ' ' ARG . 28.7 m-85 -155.99 88.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.956 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 p -148.28 75.67 1.34 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.32 -34.63 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.959 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.03 -167.46 21.44 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.706 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.21 30.22 3.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.7 0.286 . . . . 0.0 110.842 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.14 69.82 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.999 0.428 . . . . 0.0 110.725 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.32 -32.34 55.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.986 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.415 ' O ' HG23 ' A' ' 50' ' ' ILE . 27.9 m-85 -60.46 -46.09 91.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.257 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.15 -53.32 17.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.018 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.74 -47.31 82.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.325 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.462 HG22 HD12 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -61.72 -39.93 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.179 -179.701 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.462 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 86.5 t80 -58.54 -43.22 89.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -68.23 -34.41 76.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.347 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.75 -52.53 24.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.895 0.379 . . . . 0.0 111.169 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.462 ' CD2' ' HA ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -78.72 -1.45 34.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.262 179.478 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -53.41 -23.92 11.1 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.74 0.305 . . . . 0.0 111.364 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.0 m -53.86 -28.37 35.57 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.8 0.333 . . . . 0.0 110.917 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.21 -63.85 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.054 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.52 ' CZ2' ' HG3' ' A' ' 29' ' ' GLU . 74.4 m95 -109.47 108.21 18.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.7 p80 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 -179.829 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.415 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 2.3 t . . . . . 0 CA--C 1.523 -0.084 0 CA-C-O 120.76 0.314 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.448 ' CG1' ' CZ ' ' A' ' 68' ' ' TYR . 70.6 t 70.2 -52.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.576 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -42.18 81.91 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.46 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 42.5 mm-40 -63.83 -39.07 93.36 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.203 178.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.585 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 2.0 tm? -55.64 -50.44 70.2 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.979 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.448 ' CZ ' ' CG1' ' A' ' 64' ' ' VAL . 9.5 m-30 -61.46 -28.6 69.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.974 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -64.97 -49.36 70.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.431 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.585 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -75.71 -32.41 60.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.022 0.439 . . . . 0.0 109.98 179.551 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.427 ' HB2' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.93 -27.71 60.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.8 179.673 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.3 -37.51 37.54 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 120.94 0.4 . . . . 0.0 110.591 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -75.81 -28.88 60.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.273 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.1 m -77.73 -49.72 13.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 0.0 110.781 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.926 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.426 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.0 -29.19 19.73 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.429 ' HG2' ' CZ2' ' A' ' 58' ' ' TRP . 0.4 OUTLIER -56.77 -48.98 76.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.044 179.85 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -56.53 -31.79 64.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.793 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.416 ' HA ' ' CG1' ' A' ' 34' ' ' ILE . 12.8 mt-10 -70.12 -29.66 66.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.714 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.29 -35.71 61.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.407 ' CD1' HD23 ' A' ' 67' ' ' LEU . 7.2 mt -74.44 -40.85 49.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.753 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.416 ' CG1' ' HA ' ' A' ' 31' ' ' GLU . 2.8 pp -66.99 -35.54 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.261 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -70.58 -34.94 72.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.94 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.6 -30.3 62.28 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.458 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 mt -77.79 -31.83 52.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 111.033 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.16 -10.97 51.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 0.0 112.013 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -100.37 -47.08 5.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.659 0.266 . . . . 0.0 111.522 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -142.4 141.25 32.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.242 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.2 p -157.42 31.55 0.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.826 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.14 73.7 0.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.655 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 45' ' ' GLN . . . -172.44 168.04 41.05 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.44 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.635 ' O ' ' HB2' ' A' ' 45' ' ' GLN . 6.4 mt-30 -62.25 84.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.635 ' HB2' ' O ' ' A' ' 44' ' ' GLN . 8.8 mt-30 80.0 99.34 0.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.796 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.401 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -73.49 -29.25 62.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.051 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.401 ' N ' ' HG2' ' A' ' 46' ' ' ARG . 66.8 m-85 -59.81 -50.04 75.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 0.0 111.1 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -66.11 -39.23 89.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.977 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -57.84 -50.41 73.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.58 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.2 mt -59.05 -42.83 87.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.506 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.493 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 68.1 t80 -56.28 -41.87 76.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.725 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.437 ' O ' ' CG ' ' A' ' 55' ' ' ARG . 3.8 m-85 -68.56 -32.5 72.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.371 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.72 -53.07 9.11 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.369 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.493 ' CD2' ' HA ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -80.3 6.2 12.66 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.88 179.189 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 52' ' ' TYR . 4.7 ppt_? -52.74 -25.53 11.44 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 122.203 -0.31 . . . . 0.0 111.489 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -20.42 53.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 111.051 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.9 t -81.82 -69.32 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.499 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.517 ' CE3' ' HA ' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -78.72 -84.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.714 -179.135 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--N 1.331 -0.219 0 CA-C-O 120.703 0.287 . . . . 0.0 111.52 -179.612 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.426 ' HB ' ' CE2' ' A' ' 51' ' ' TYR . 4.6 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.822 0.344 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.7 t -58.8 -29.14 39.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.634 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.43 -47.27 84.48 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.035 0.445 . . . . 0.0 110.009 179.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.437 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -60.58 -39.07 86.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.837 179.037 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.564 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.4 OUTLIER -56.63 -48.62 77.11 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.272 179.198 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -63.37 -28.25 69.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.834 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -49.4 65.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.377 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.564 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -75.89 -31.01 59.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.075 0.464 . . . . 0.0 109.804 179.238 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 33.5 t-105 -75.08 -31.92 61.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.687 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -79.35 -31.95 43.15 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.917 0.389 . . . . 0.0 110.493 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.81 -29.62 54.28 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.122 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.0 p -81.27 -38.08 27.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.765 0.317 . . . . 0.0 110.825 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -50.9 -40.54 57.0 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-O 120.968 0.413 . . . . 0.0 110.774 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.431 ' HG2' ' CD2' ' A' ' 58' ' ' TRP . 1.4 pp20? -63.06 -52.32 63.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.629 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.87 -33.63 70.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.589 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.404 ' HA ' HG23 ' A' ' 34' ' ' ILE . 39.7 mt-10 -70.34 -30.55 67.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.416 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.5 -37.69 74.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.566 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 mt -66.67 -48.72 79.34 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.618 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.404 HG23 ' HA ' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -59.0 -38.23 72.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.629 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -69.93 -35.3 74.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.109 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.65 -36.82 53.14 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.145 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.406 ' CD2' ' CE2' ' A' ' 47' ' ' PHE . 5.6 mp -73.16 -27.1 61.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.705 0.288 . . . . 0.0 110.849 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.59 -21.54 32.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.406 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.03 -56.34 2.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.974 0.416 . . . . 0.0 111.157 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -84.73 117.06 23.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.904 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -172.05 84.8 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.13 32.07 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.09 -175.0 26.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.555 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.52 -46.58 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.83 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -116.36 71.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.788 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -76.41 -24.1 54.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.103 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.406 ' CE2' ' CD2' ' A' ' 37' ' ' LEU . 95.6 m-85 -53.66 -46.91 70.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.334 . . . . 0.0 111.525 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -70.29 -46.68 63.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.326 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.59 -50.53 72.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.994 0.426 . . . . 0.0 110.599 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -37.52 75.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.338 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.485 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 49.0 t80 -54.49 -45.84 73.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.65 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -68.21 -34.02 75.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.768 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.8 -52.14 47.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.49 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.485 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -78.28 -2.36 37.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.57 -179.923 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.18 84.98 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.735 0.302 . . . . 0.0 111.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER 176.69 38.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.823 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.3 m -136.08 -46.73 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.431 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -112.91 177.53 4.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 75.0 m80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.413 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 1.7 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.711 0.291 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.413 ' HB ' ' O ' ' A' ' 63' ' ' THR . 81.1 t 70.42 -52.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.623 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -43.0 98.14 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.454 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 18.7 mm-40 -64.97 -39.06 92.91 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.065 178.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.525 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 2.4 tm? -55.36 -49.18 72.93 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.034 178.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -63.82 -28.37 69.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.986 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -67.09 -47.71 70.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.006 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.525 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -77.31 -30.96 54.33 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 178.856 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -72.74 -33.79 66.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.664 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 -75.81 -43.37 46.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.013 0.435 . . . . 0.0 110.032 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.95 -28.91 74.05 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.971 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.6 p -77.11 -38.69 51.69 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.881 0.372 . . . . 0.0 110.591 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 179.891 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.2 -34.16 30.65 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.834 0.35 . . . . 0.0 110.754 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -58.76 -47.01 86.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.796 179.761 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.43 -45.73 80.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.786 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' O ' HG13 ' A' ' 34' ' ' ILE . 1.9 tm-20 -61.23 -29.51 69.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.56 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.75 -30.03 61.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.622 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.458 ' CD1' HD23 ' A' ' 67' ' ' LEU . 1.4 mt -72.43 -46.54 55.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.653 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 31' ' ' GLU . 2.8 pp -63.24 -39.92 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.257 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -33.65 76.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.893 178.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.455 ' HA2' ' CZ ' ' A' ' 40' ' ' PHE . . . -73.64 -41.7 42.4 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.793 -0.717 . . . . 0.0 111.889 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.424 HD11 ' CZ2' ' A' ' 71' ' ' TRP . 0.2 OUTLIER -68.68 -22.94 64.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.929 0.395 . . . . 0.0 110.673 179.558 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.72 -28.84 36.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.61 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -99.0 -63.14 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 111.784 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.455 ' CZ ' ' HA2' ' A' ' 36' ' ' GLY . 1.7 p90 -104.17 125.31 50.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.215 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.406 ' HB ' ' HG2' ' A' ' 46' ' ' ARG . 1.4 p -162.03 85.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.933 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -46.83 -40.15 13.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.286 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.22 -36.62 3.64 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.737 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -26.72 8.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.872 0.367 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 46' ' ' ARG . 0.3 OUTLIER -157.75 -66.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.64 179.856 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 45' ' ' GLN . 4.5 mtp85 87.86 -38.36 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.407 ' O ' HG21 ' A' ' 50' ' ' ILE . 61.6 m-85 -75.65 -50.45 15.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.082 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -70.72 -45.55 64.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -50.71 72.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.007 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.425 HG12 ' CE2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -61.16 -37.73 78.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.044 0.449 . . . . 0.0 110.243 179.474 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.51 ' CD1' HD21 ' A' ' 67' ' ' LEU . 17.2 t80 -55.83 -49.41 73.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.442 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -68.28 -24.44 64.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.05 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.07 -52.39 24.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.774 0.321 . . . . 0.0 111.552 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.495 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 1.7 p90 -78.73 0.46 26.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.892 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.61 -22.81 9.34 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.55 0.214 . . . . 0.0 111.463 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 t -69.24 -34.42 74.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.675 0.274 . . . . 0.0 111.317 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.9 p -84.34 -24.84 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.47 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -107.62 165.97 11.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.965 0.412 . . . . 0.0 111.121 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.142 -179.765 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.747 0.308 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.27 -34.7 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.965 0.412 . . . . 0.0 110.627 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.2 m -57.77 -42.68 84.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.173 0.511 . . . . 0.0 109.802 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 69' ' ' ASP . 16.0 tt0 -61.14 -32.17 71.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.037 178.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.718 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -62.69 -51.42 67.26 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.074 179.732 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -61.84 -27.9 69.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.059 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 66' ' ' GLN . 6.8 m-20 -67.28 -49.57 63.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.828 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.718 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.1 p-80 -80.5 -18.41 48.64 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.04 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.449 ' HB2' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -85.58 -32.88 21.87 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 178.181 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.41 -32.24 54.6 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.29 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.46 -36.23 17.63 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.211 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.0 t -69.86 -45.53 67.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.731 0.3 . . . . 0.0 110.759 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 t -56.35 -23.11 35.26 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.087 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.01 -50.18 67.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.29 -31.8 64.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.685 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.428 ' HA ' HG12 ' A' ' 34' ' ' ILE . 35.3 mt-10 -70.45 -32.47 70.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.456 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.412 ' HB1' ' CD1' ' A' ' 54' ' ' TYR . . . -72.7 -32.7 65.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.178 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.435 HG12 ' CE2' ' A' ' 54' ' ' TYR . 3.4 mt -73.79 -40.06 53.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.576 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.428 HG12 ' HA ' ' A' ' 31' ' ' GLU . 31.9 pt -64.32 -41.07 91.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.634 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.403 ' N ' HG13 ' A' ' 34' ' ' ILE . 3.8 mtpt -66.34 -43.96 84.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.131 0.491 . . . . 0.0 109.76 179.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.408 ' HA3' ' CD1' ' A' ' 50' ' ' ILE . . . -62.72 -48.65 79.63 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.576 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -35.4 64.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.787 0.327 . . . . 0.0 110.592 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.18 -30.23 70.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.976 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.409 ' O ' ' CD1' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -116.58 18.85 14.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.512 -179.835 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.409 ' CD1' ' O ' ' A' ' 39' ' ' ARG . 44.1 m-85 -149.23 106.18 3.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.908 0.385 . . . . 0.0 110.846 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 p -163.3 76.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.751 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.1 mmmt -125.38 43.38 3.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.014 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.9 -174.08 43.46 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.479 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -98.7 30.5 3.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -151.47 39.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.732 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.403 ' O ' HG21 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.59 -28.86 65.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.239 -179.877 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.42 ' O ' HG21 ' A' ' 50' ' ' ILE . 84.3 m-85 -62.01 -50.46 71.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.99 0.424 . . . . 0.0 111.196 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.59 -46.2 63.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.812 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -59.4 -50.43 73.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.96 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.457 HD11 HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -60.75 -38.07 77.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.086 0.47 . . . . 0.0 110.455 179.602 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.485 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 17.6 t80 -54.17 -50.94 65.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.006 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -68.18 -29.09 67.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.129 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.86 -52.58 28.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 0.0 111.088 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.485 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -79.35 6.14 10.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.812 179.497 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -52.94 113.12 0.99 Allowed 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 121.177 0.513 . . . . 0.0 111.097 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 169.72 -36.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.051 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.3 m -99.19 15.47 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.991 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.407 ' CE3' ' HA ' ' A' ' 58' ' ' TRP . 0.6 OUTLIER 179.06 135.74 0.09 Allowed 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.49 -179.631 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 120.703 0.287 . . . . 0.0 111.376 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.492 ' OG1' ' N ' ' A' ' 64' ' ' VAL . 14.6 p . . . . . 0 C--O 1.232 0.144 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.492 ' N ' ' OG1' ' A' ' 63' ' ' THR . 4.8 t -49.29 -33.34 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.754 0.312 . . . . 0.0 110.76 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 t -67.62 -39.77 84.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.062 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -65.53 -32.54 74.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.094 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.617 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -65.09 -51.03 63.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.239 179.7 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -61.71 -28.33 69.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.192 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -71.55 -49.81 37.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.223 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.617 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.2 p-80 -81.04 -15.28 56.55 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.239 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.508 ' HB2' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -86.75 -33.33 20.0 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.918 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.78 -31.84 52.14 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 121.032 0.444 . . . . 0.0 110.091 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.02 -40.56 16.35 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.173 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.8 m -67.43 -42.2 83.56 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 120.811 0.339 . . . . 0.0 110.718 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.42 HD23 ' CZ3' ' A' ' 71' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.332 -0.154 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.228 0 CA-C-O 120.51 0.195 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t 79.08 -29.8 0.15 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.47 ' O ' HG13 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -83.13 -43.79 15.83 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.246 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -64.16 -30.31 71.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.276 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' O ' HG13 ' A' ' 34' ' ' ILE . 2.3 mm-40 -70.52 -29.58 66.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.524 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.99 -37.63 58.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.778 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 29' ' ' GLU . 2.1 mt -72.16 -39.92 65.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.81 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 31' ' ' GLU . 2.8 pp -67.01 -39.08 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.516 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.401 ' N ' ' CD1' ' A' ' 34' ' ' ILE . 30.8 tttt -73.69 -39.53 64.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.161 0.505 . . . . 0.0 109.777 178.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.413 ' HA3' ' CG1' ' A' ' 50' ' ' ILE . . . -66.55 -44.24 90.43 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.347 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.407 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -69.54 -31.77 70.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.342 . . . . 0.0 110.559 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.52 -26.16 67.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.169 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.53 -30.52 8.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.563 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -110.39 132.86 53.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.455 ' HA ' ' HB3' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -168.93 -39.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.5 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.4 66.7 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.0 0.428 . . . . 0.0 110.761 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.19 163.22 35.88 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.616 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.434 ' O ' ' CB ' ' A' ' 45' ' ' GLN . 24.8 tp60 -63.99 81.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.731 0.301 . . . . 0.0 110.319 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.434 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER 80.67 105.93 0.07 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.904 -179.704 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.455 ' HB3' ' HA ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -90.28 -24.46 20.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.33 -179.904 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.407 ' CE1' HD21 ' A' ' 37' ' ' LEU . 6.5 m-85 -65.97 -48.21 72.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.19 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -70.14 -48.0 59.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.076 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -60.45 -50.23 74.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.268 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.475 HD11 HG21 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -59.7 -40.51 82.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.954 0.407 . . . . 0.0 111.11 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.461 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 40.3 t80 -60.18 -38.25 82.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.793 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -68.36 -39.19 81.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.63 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.59 -53.1 38.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.862 0.363 . . . . 0.0 111.077 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.498 ' CD1' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -79.78 4.84 15.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.665 179.475 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -52.86 -23.96 8.1 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.591 0.234 . . . . 0.0 111.432 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.44 -24.34 30.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.712 0.292 . . . . 0.0 110.884 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 58' ' ' TRP . 79.8 t -102.57 158.07 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.03 0.443 . . . . 0.0 111.089 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.433 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 10.1 t90 67.71 -71.07 0.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.385 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.008 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.5 t . . . . . 0 CA--C 1.524 -0.029 0 CA-C-O 120.772 0.32 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 95.3 t -51.23 -30.96 10.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.973 0.416 . . . . 0.0 110.0 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.6 m -59.66 -43.6 93.89 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.436 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 12.5 mt-30 -60.09 -36.95 78.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.418 178.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.602 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -55.03 -50.09 69.93 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.106 178.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.409 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 5.1 m-30 -62.18 -29.54 70.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.704 178.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.37 -49.86 69.97 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.487 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.602 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.68 -31.91 62.04 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.064 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -68.0 -29.1 68.04 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.128 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 68' ' ' TYR . 0.2 OUTLIER -79.28 -36.62 39.49 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.063 0.458 . . . . 0.0 109.9 179.032 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.81 -28.23 73.25 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.245 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.1 p -82.66 -45.46 14.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.932 0.396 . . . . 0.0 110.905 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.114 0 N-CA-C 112.583 -0.207 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.58 155.0 64.11 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.567 2.178 . . . . 0.0 112.387 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.27 -149.78 19.87 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.553 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.9 t -82.56 -57.43 3.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.773 0.321 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 mt 62.57 -79.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 p 59.1 -177.37 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -109.88 -177.13 3.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -100.76 31.31 3.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.14 160.81 14.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -75.22 138.34 41.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.2 p -123.0 -42.98 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.7 -118.62 9.19 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.2 p -130.43 145.59 35.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.91 0.386 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.19 159.66 53.54 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.43 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.0 t -160.87 119.52 2.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.8 0.334 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.9 m -119.53 145.02 46.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.8 p -130.56 119.8 23.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.91 -82.32 0.16 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.488 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.62 142.0 32.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -139.78 159.38 42.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 60.14 30.13 19.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -100.71 126.77 47.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.739 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -74.16 -83.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 mttm 47.22 41.46 11.91 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.933 0.397 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 27' ' ' ALA . 0.9 OUTLIER -48.17 137.92 10.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.242 179.303 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 t -67.68 65.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 25' ' ' PHE . . . 65.55 20.07 11.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.573 -178.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.423 ' CB ' ' HB3' ' A' ' 25' ' ' PHE . 4.8 t -61.73 -21.28 64.37 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-O 120.741 0.305 . . . . 0.0 111.197 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -55.57 -52.44 63.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -56.48 -32.32 64.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.423 ' HA ' HG12 ' A' ' 34' ' ' ILE . 18.2 mt-10 -69.99 -32.45 70.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.676 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.7 -35.41 70.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.075 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.5 mt -70.79 -41.37 77.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.902 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.423 HG12 ' HA ' ' A' ' 31' ' ' GLU . 35.3 pt -65.23 -37.98 81.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.558 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -71.66 -34.62 69.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.118 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.419 ' HA3' ' CG1' ' A' ' 50' ' ' ILE . . . -73.63 -39.74 48.21 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.245 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.8 -24.45 58.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.719 0.295 . . . . 0.0 110.989 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.03 -15.91 37.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.571 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -102.79 -51.28 3.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.78 0.324 . . . . 0.0 111.555 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.42 ' CE2' HG12 ' A' ' 50' ' ' ILE . 3.0 p90 -130.18 136.22 49.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.8 p -159.0 33.37 0.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -80.79 85.38 6.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 170.35 154.61 9.59 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.565 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.75 -21.12 60.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.742 0.306 . . . . 0.0 111.183 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -142.4 85.1 1.89 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.635 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -24.23 61.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.493 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.435 ' O ' HG23 ' A' ' 50' ' ' ILE . 26.4 m-85 -63.74 -50.41 69.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.786 0.327 . . . . 0.0 111.654 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -40.6 74.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.8 0.334 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -65.87 -49.53 67.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.793 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.438 HG22 HD11 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.62 -38.68 72.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.736 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.485 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 31.2 t80 -60.48 -46.79 88.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.624 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.432 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 28.0 m-85 -68.35 -23.49 64.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.51 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.82 -52.89 9.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 111.204 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.485 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -79.44 -0.61 33.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.865 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -53.27 105.7 0.14 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-O 121.053 0.454 . . . . 0.0 111.037 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 168.83 -33.4 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.732 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.2 m -74.16 -24.88 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.487 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.18 -78.29 0.58 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.25 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -151.06 108.03 3.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.108 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.22 93.35 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.589 2.192 . . . . 0.0 112.238 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -177.91 165.82 2.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.879 0.371 . . . . 0.0 111.2 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 -67.6 125.16 25.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.669 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -165.55 39.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.915 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 85.0 t -56.03 -33.47 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.71 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.43 -50.44 73.58 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.132 0.492 . . . . 0.0 109.919 179.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.458 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 4.2 mm100 -58.23 -37.54 75.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.777 178.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.543 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -56.61 -50.2 72.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.343 179.235 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -61.53 -28.75 69.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.085 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.39 -49.51 66.58 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.492 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.543 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -75.55 -32.34 60.38 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.312 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -72.35 -28.32 62.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.608 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -78.12 -39.96 39.65 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.963 0.411 . . . . 0.0 110.58 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -75.88 -27.69 62.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.441 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.3 m -78.56 -45.68 21.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.34 . . . . 0.0 110.863 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -59.12 -30.58 68.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -104.55 178.57 4.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -156.96 32.55 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.812 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -128.62 90.98 3.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.4 p -162.03 129.76 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.06 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.1 pt -129.26 49.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -103.95 -35.15 8.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.68 135.04 39.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -149.91 156.74 42.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.996 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.96 142.47 5.22 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.91 116.76 6.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.801 0.334 . . . . 0.0 111.004 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -158.71 35.46 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.788 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -128.11 28.55 4.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.557 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.8 tptt -160.63 94.17 1.04 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.842 0.354 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -148.63 -57.18 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 55.9 p -164.24 -48.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.6 m -97.3 138.38 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.166 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -110.69 108.68 18.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -116.25 147.6 41.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -86.71 174.09 9.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.71 149.35 17.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -69.35 175.09 8.22 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.578 2.185 . . . . 0.0 112.28 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.17 176.14 10.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.83 150.07 36.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -159.46 120.38 3.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.059 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.7 m -84.18 126.62 33.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -135.67 -47.31 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.8 mtt -147.04 105.36 3.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -130.62 93.41 3.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -111.94 147.14 36.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -129.53 -45.38 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.857 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.26 170.18 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.672 2.248 . . . . 0.0 112.265 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 177.59 -38.74 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.0 m -63.58 160.0 17.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.673 0.273 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mt -125.08 -48.14 1.75 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.871 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.86 88.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -110.18 37.76 2.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -95.47 -177.89 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.96 -80.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.158 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.75 130.47 44.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.3 m -150.73 -47.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.8 174.29 0.83 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.3 m -72.85 165.92 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.764 0.316 . . . . 0.0 111.165 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.75 -38.77 0.23 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.7 m -107.11 131.36 54.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.847 0.356 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 t -126.99 133.53 50.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 p -153.9 170.23 21.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.32 165.34 29.27 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.442 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.93 174.79 10.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -123.75 162.73 22.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -153.14 116.66 4.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -82.05 -176.88 6.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.807 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.401 ' CD2' ' HE2' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -158.73 117.41 2.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.096 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.401 ' HE2' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 59.78 67.32 0.89 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.192 0.52 . . . . 0.0 111.199 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.548 ' C ' ' H ' ' A' ' 27' ' ' ALA . 1.2 t80 -55.27 162.11 1.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.89 178.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.62 -1.58 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.583 0.23 . . . . 0.0 111.022 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.548 ' H ' ' C ' ' A' ' 25' ' ' PHE . . . -132.29 -15.37 2.88 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.996 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.1 m -49.45 -28.82 5.69 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.842 0.353 . . . . 0.0 110.841 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.456 ' HG3' ' CD1' ' A' ' 58' ' ' TRP . 1.4 tm-20 -58.14 -51.26 70.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.795 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -56.37 -37.23 69.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.899 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.68 -34.54 75.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.013 0.435 . . . . 0.0 110.332 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.43 -35.01 70.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.368 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.443 HG12 ' CE2' ' A' ' 54' ' ' TYR . 3.6 mt -68.11 -45.46 83.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.773 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.0 pt -61.6 -39.75 84.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.659 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -41.33 76.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.115 0.483 . . . . 0.0 109.805 179.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.21 -46.23 93.53 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.81 -0.709 . . . . 0.0 111.896 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.77 -36.5 81.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.946 0.403 . . . . 0.0 110.786 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.64 -34.24 72.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.173 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -100.99 -22.42 14.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.465 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -108.0 125.41 51.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.773 0.32 . . . . 0.0 111.06 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -171.89 40.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.822 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.99 51.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.81 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -170.93 178.03 43.61 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.547 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -77.28 -30.79 54.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -126.95 75.87 1.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.12 -26.4 64.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.463 ' CE1' ' NE1' ' A' ' 71' ' ' TRP . 27.8 m-85 -66.24 -44.68 83.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.817 0.341 . . . . 0.0 111.144 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -70.33 -48.84 54.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.766 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -50.56 73.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.502 HG23 HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -62.08 -37.69 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.647 179.714 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.427 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 18.0 t80 -54.08 -51.99 62.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.865 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -68.33 -29.13 67.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.198 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.64 -52.05 35.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.546 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.443 ' CE2' HG12 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -78.61 -0.61 30.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.611 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -53.76 91.56 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.109 0 CA-C-O 120.936 0.398 . . . . 0.0 111.012 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.4 p -174.08 -41.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.648 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.96 -44.82 92.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.997 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.582 ' CE3' ' HA ' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -89.24 -161.22 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.555 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.09 113.68 62.72 Favored Pre-proline 0 C--N 1.332 -0.183 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.474 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.23 112.92 2.45 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.488 2.125 . . . . 0.0 112.549 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -166.41 29.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.415 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 50.1 97.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.153 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.95 58.67 1.36 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.338 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.8 t -57.77 -37.45 59.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.129 0.49 . . . . 0.0 109.908 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -41.81 79.12 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.43 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.4 OUTLIER -60.98 -37.54 82.82 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.34 178.515 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.57 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -54.33 -50.07 68.24 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.015 179.087 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -63.33 -28.44 70.01 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.739 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -49.63 67.71 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.291 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.57 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -75.0 -33.01 61.78 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.165 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.463 ' NE1' ' CE1' ' A' ' 47' ' ' PHE . 28.6 t-105 -71.25 -30.62 66.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.409 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -72.32 -48.0 45.47 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.119 0.485 . . . . 0.0 110.281 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.16 -32.54 84.48 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.094 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 57.9 m -73.66 -36.64 65.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.616 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.93 20.6 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -87.42 148.31 25.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.754 0.312 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.12 -63.41 0.19 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -169.19 126.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.2 m -140.22 -179.86 2.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.051 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 24.1 pt 41.59 68.02 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.787 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -119.58 29.74 7.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.53 86.23 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -93.18 -56.83 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.835 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.1 102.78 0.13 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.529 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -115.96 32.27 6.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -152.08 -46.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.06 -168.26 11.37 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.535 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.08 -40.74 4.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.737 0.303 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -132.61 -46.71 0.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.1 -170.68 0.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.3 m -145.98 162.01 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.12 111.59 19.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.033 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -156.97 166.19 34.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.32 154.63 20.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.401 ' HB3' ' HD3' ' A' ' 96' ' ' PRO . 0.8 OUTLIER 178.53 -57.87 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.652 179.865 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.401 ' HD3' ' HB3' ' A' ' 95' ' ' SER . 92.2 Cg_endo -83.37 48.32 2.63 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.693 2.262 . . . . 0.0 112.601 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -81.5 -47.51 13.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.827 0.346 . . . . 0.0 110.702 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.96 -22.64 27.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 65.76 93.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.921 0.391 . . . . 0.0 111.102 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 84.0 p -148.88 69.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -175.63 108.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 33.5 mtm -150.81 30.92 0.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 59.52 95.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -123.82 132.72 53.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -95.98 80.97 3.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.301 -0.856 . . . . 0.0 110.907 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.1 -45.81 1.29 Allowed 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.574 2.183 . . . . 0.0 112.364 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -112.19 123.79 6.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m -60.32 173.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.795 0.331 . . . . 0.0 110.941 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.9 mp -98.74 31.14 3.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.86 108.99 20.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.9 m120 60.53 173.93 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -84.14 141.49 31.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.968 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.99 166.38 9.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -97.76 37.89 1.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.86 143.18 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -102.54 -28.87 6.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.445 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.4 t -97.74 35.41 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 111.172 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -111.3 -48.23 0.71 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.617 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.22 141.84 35.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 110.963 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 p -173.23 -65.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.2 p -72.81 175.98 6.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.01 -63.18 0.13 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.505 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.63 132.76 39.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.832 0.348 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -175.83 89.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -160.84 145.08 13.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.15 147.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -177.17 117.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.08 55.99 3.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.058 0.456 . . . . 0.0 110.729 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.426 ' CB ' ' HB2' ' A' ' 28' ' ' SER . 0.1 OUTLIER -61.75 157.08 18.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.294 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.0 m -73.17 53.92 0.39 Allowed 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 167.64 -26.57 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.759 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.426 ' HB2' ' CB ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -50.3 -31.65 14.92 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-O 120.808 0.337 . . . . 0.0 110.665 179.556 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.426 ' HB3' ' CD2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -56.28 -51.41 68.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.909 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -56.55 -35.37 68.05 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.979 0.418 . . . . 0.0 110.442 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.48 ' O ' HG13 ' A' ' 34' ' ' ILE . 2.9 mm-40 -68.42 -29.32 67.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.436 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.37 -32.82 62.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.811 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.7 mt -72.06 -44.81 65.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.702 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 31' ' ' GLU . 0.9 OUTLIER -64.71 -39.02 84.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.299 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -73.33 -39.01 65.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.114 0.483 . . . . 0.0 109.751 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.411 ' HA3' ' CG1' ' A' ' 50' ' ' ILE . . . -64.43 -45.22 93.86 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.687 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.401 ' CD1' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -61.52 -42.26 98.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.568 179.562 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.08 -17.52 64.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.55 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -124.53 34.88 4.92 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -137.69 -91.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.889 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.7 p 43.5 70.1 0.34 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.887 0.375 . . . . 0.0 111.5 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -118.27 37.4 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.81 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 158.84 -163.25 33.08 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.77 32.17 2.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.764 0.316 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.2 50.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.86 -27.81 53.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.4 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 31.3 m-85 -60.32 -48.15 82.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.31 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.19 -49.02 54.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.945 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -50.42 73.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.664 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.411 ' CG1' ' HA3' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -59.05 -37.56 68.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.412 179.482 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.534 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 9.6 t80 -56.46 -44.45 80.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.601 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 61' ' ' ALA . 14.9 m-85 -67.3 -32.04 72.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.608 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.89 -52.24 45.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.385 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.534 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.7 OUTLIER -78.67 -0.26 29.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.447 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -53.68 -23.11 10.45 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.421 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.55 -37.73 71.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.643 0.259 . . . . 0.0 111.424 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.5 p -80.68 -18.87 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.721 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.426 ' CD2' ' HB3' ' A' ' 29' ' ' GLU . 1.8 t-105 -130.53 -164.82 1.47 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.869 0.366 . . . . 0.0 111.341 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.413 ' HB3' ' HD2' ' A' ' 60' ' ' PRO . 50.2 m80 -59.86 161.57 11.65 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.062 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 59' ' ' HIS . 11.0 Cg_endo -54.19 -177.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.711 2.274 . . . . 0.0 112.357 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 52' ' ' TYR . . . -92.62 110.58 22.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.337 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 174.55 41.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.756 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.17 47.62 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.253 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 83.5 t -56.46 -34.31 40.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.965 0.412 . . . . 0.0 110.385 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 79.0 p -58.2 -43.83 87.8 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.426 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.5 OUTLIER -61.14 -35.94 78.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.704 178.658 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.592 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 2.2 tm? -55.58 -50.53 69.84 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.058 179.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -62.94 -29.16 70.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.781 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -49.33 67.97 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.271 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.592 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.3 -36.2 63.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.165 0.507 . . . . 0.0 109.841 179.349 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -70.92 -28.74 64.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.702 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -75.43 -41.27 56.35 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.952 0.406 . . . . 0.0 110.155 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.46 -37.04 93.93 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.952 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.6 p -74.05 -35.84 64.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.657 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 tp -175.52 81.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.043 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.5 ptt85 -75.99 115.43 15.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -77.35 124.56 28.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.07 -54.05 0.35 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.1 p -158.49 48.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.989 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.8 tp -148.62 43.64 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.9 119.56 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -91.91 93.52 8.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.94 -172.05 2.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.795 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 157.47 -106.91 0.3 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.586 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -77.69 179.46 6.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.786 0.327 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -156.13 96.82 1.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 177.31 37.93 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.579 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -136.69 31.88 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.782 0.325 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -123.82 31.77 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.764 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.5 t -90.54 163.08 14.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.8 p -99.92 -30.96 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -139.53 149.63 44.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -115.11 154.9 28.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -168.03 119.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.1 m -109.16 93.84 13.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.61 155.57 69.59 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.338 2.025 . . . . 0.0 112.262 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.51 150.48 26.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -105.78 30.81 5.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.13 29.79 7.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.0 t -176.8 37.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -62.43 148.32 45.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.71 175.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 60.75 54.42 3.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -137.46 139.27 40.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -131.78 147.35 52.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.868 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.68 -29.13 40.3 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.734 2.289 . . . . 0.0 112.193 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 109.84 27.75 4.48 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.58 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.09 157.88 38.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.884 0.373 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -124.35 -39.08 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.46 167.83 9.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.376 . . . . 0.0 110.942 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -110.74 143.02 41.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -166.98 -63.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.26 -179.78 2.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.187 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -66.03 95.16 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.6 p -116.87 -38.1 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.26 -110.14 1.16 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.55 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.6 m -114.41 -39.74 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 110.961 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 147.94 44.51 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.547 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.3 t -179.6 71.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.932 0.396 . . . . 0.0 110.819 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.1 p -97.56 38.33 1.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.87 163.68 25.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.43 78.95 1.56 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.69 -173.36 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.858 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -147.87 129.23 14.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.35 170.39 15.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -134.88 -68.49 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 59.65 31.36 20.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.6 60.2 4.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 27' ' ' ALA . 5.1 m-85 -51.52 140.19 18.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.982 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -69.09 62.89 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 25' ' ' PHE . . . 64.09 23.64 13.27 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.229 -178.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.419 ' CB ' ' HB3' ' A' ' 25' ' ' PHE . 14.7 m -54.94 -32.29 61.17 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.141 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.458 ' O ' HG13 ' A' ' 33' ' ' ILE . 1.6 tt0 -60.16 -53.07 62.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.389 . . . . 0.0 110.526 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.51 -43.11 95.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.499 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.418 ' HA ' HG12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -63.21 -29.75 71.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.478 179.587 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.04 -42.63 72.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.046 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 29' ' ' GLU . 3.6 mt -64.63 -41.27 91.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.129 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 35' ' ' LYS . 37.2 pt -65.67 -40.95 89.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.781 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.419 ' N ' HG13 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -66.84 -39.83 87.75 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.207 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.61 -49.65 67.66 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.485 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.417 ' CD2' HG21 ' A' ' 50' ' ' ILE . 1.2 mm? -55.29 -37.16 66.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 110.517 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.56 -19.43 62.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.324 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.402 ' O ' ' CD2' ' A' ' 40' ' ' PHE . 4.1 mtt180 -126.23 25.54 6.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.541 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.402 ' CD2' ' O ' ' A' ' 39' ' ' ARG . 38.0 m-85 -162.53 91.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.817 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.8 p -156.63 73.52 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -115.86 30.81 7.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 179.94 -157.08 19.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.547 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.03 -26.14 15.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 111.018 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -94.99 42.5 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -65.25 -42.45 93.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.403 ' O ' HG23 ' A' ' 50' ' ' ILE . 37.7 m-85 -63.11 -46.76 85.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.178 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -70.17 -46.57 64.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.059 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -57.88 -50.36 73.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.907 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.417 HG21 ' CD2' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -60.97 -38.28 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.634 179.742 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.452 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 31.1 t80 -60.57 -41.35 94.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.634 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -68.37 -34.83 76.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.315 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.74 -52.74 18.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.96 0.409 . . . . 0.0 110.928 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.464 ' CD1' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -79.38 1.77 24.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.575 179.423 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.23 -25.65 14.92 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-O 120.739 0.304 . . . . 0.0 111.24 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 86.6 p -56.99 -25.25 58.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.731 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 43.5 t -80.84 -57.69 4.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.046 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.468 ' CE3' ' HA ' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -57.77 -166.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.967 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.467 ' CB ' ' CD ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -107.99 -67.18 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.371 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' A' ' 59' ' ' HIS . 60.8 Cg_endo -72.98 179.21 5.58 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.179 1.919 . . . . 0.0 112.455 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -146.43 43.53 1.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -166.62 39.39 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.654 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.6 t -125.65 46.56 2.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.94 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.7 t -55.18 -35.89 37.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.512 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 m -57.06 -45.17 83.45 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.349 0.595 . . . . 0.0 109.551 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.438 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 58.6 mm-40 -60.19 -35.35 75.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.521 178.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.582 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.4 OUTLIER -55.38 -50.14 70.47 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.175 179.063 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.11 -28.43 70.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.604 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -49.41 68.01 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.654 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.582 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.77 -31.87 61.89 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.132 179.631 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -76.19 -30.62 58.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -38.73 56.88 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.981 0.42 . . . . 0.0 110.467 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -72.49 -34.13 60.55 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.15 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.2 p -71.57 -42.43 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.668 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.09 9.86 26.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.225 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 60.3 165.15 0.07 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.865 0.364 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.62 134.17 56.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.04 118.65 22.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.7 m -85.47 -22.58 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.282 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.8 mm 68.44 139.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.08 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 59.97 26.54 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 179.56 -168.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.702 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.03 -40.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -130.11 120.71 3.15 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.74 160.45 25.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.803 0.335 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -90.86 145.48 24.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.06 -152.74 0.16 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.59 -47.86 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -104.7 154.76 19.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.8 t -137.17 -47.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.81 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.0 p -62.9 158.71 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.063 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 61.97 168.6 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -124.33 121.81 35.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -162.17 30.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 m -83.06 136.97 43.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.67 101.55 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.572 2.181 . . . . 0.0 112.21 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 59.66 104.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.96 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -118.72 -66.37 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -175.05 -49.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.035 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.8 t 60.5 107.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -142.79 -59.31 0.44 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.96 179.16 4.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 68.69 -67.79 0.2 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.04 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -106.13 100.41 9.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -102.26 36.35 2.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.89 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.118 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 -20.2 35.41 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.631 2.221 . . . . 0.0 112.464 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.66 167.52 3.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.611 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.02 174.36 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.641 0.258 . . . . 0.0 111.02 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.6 mt -93.83 172.0 8.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -106.25 -34.09 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -133.92 96.23 3.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -110.48 166.3 11.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.17 -45.28 1.85 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.054 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -86.84 171.72 10.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t 61.4 103.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.8 -138.86 2.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.445 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.1 t -108.78 152.81 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.834 0.35 . . . . 0.0 111.063 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.77 28.65 7.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.524 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.1 t -150.24 90.17 1.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.806 0.336 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.5 t -77.45 -44.92 27.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.973 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 p -158.56 146.45 18.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -109.69 -101.78 2.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.533 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 62.7 38.36 12.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.347 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -170.74 74.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -167.18 114.21 0.78 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 60.22 33.83 21.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -31.65 70.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -100.95 119.45 38.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.284 0.564 . . . . 0.0 111.02 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.47 ' C ' ' H ' ' A' ' 27' ' ' ALA . 2.7 t80 -146.22 161.8 39.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.338 -0.847 . . . . 0.0 109.868 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -70.8 47.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.47 ' H ' ' C ' ' A' ' 25' ' ' PHE . . . 164.94 -22.09 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.604 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.38 -29.09 63.77 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.837 0.351 . . . . 0.0 111.116 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.408 ' O ' HG13 ' A' ' 33' ' ' ILE . 2.5 pp20? -58.89 -49.5 77.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -56.29 -30.07 62.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.768 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.438 ' HA ' HG12 ' A' ' 34' ' ' ILE . 59.6 tt0 -71.89 -32.31 67.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.076 0.465 . . . . 0.0 110.476 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.58 -33.38 66.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.069 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.426 ' CD1' HD23 ' A' ' 67' ' ' LEU . 6.4 mt -73.47 -41.26 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.946 0.403 . . . . 0.0 110.607 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.438 HG12 ' HA ' ' A' ' 31' ' ' GLU . 40.8 pt -64.6 -38.22 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.575 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' N ' HG13 ' A' ' 34' ' ' ILE . 14.8 tttt -71.73 -38.39 70.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.074 0.464 . . . . 0.0 110.023 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.404 ' HA3' ' CG1' ' A' ' 50' ' ' ILE . . . -70.24 -38.51 71.84 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.896 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.9 mt -68.28 -33.62 74.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.902 0.382 . . . . 0.0 110.79 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.94 -23.94 60.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.39 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.03 -28.13 12.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.505 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -108.52 118.09 35.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.828 0.347 . . . . 0.0 111.068 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.413 ' HA ' ' HG2' ' A' ' 46' ' ' ARG . 0.6 OUTLIER -158.25 64.89 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.996 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.64 29.5 7.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.06 -151.11 5.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.53 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -112.65 -30.36 7.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.716 0.293 . . . . 0.0 111.06 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -115.37 70.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.919 0.39 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.413 ' HG2' ' HA ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -58.51 -28.37 65.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.435 ' CE1' ' CZ2' ' A' ' 71' ' ' TRP . 25.5 m-85 -60.61 -47.31 86.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.906 0.384 . . . . 0.0 111.249 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -69.97 -48.46 58.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.801 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -57.84 -50.24 73.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.428 HG23 HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -59.7 -38.51 76.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.715 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.487 ' CD1' HD21 ' A' ' 67' ' ' LEU . 36.2 t80 -60.22 -37.31 79.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.676 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -65.52 -50.75 64.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.746 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.26 -45.49 91.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.909 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.469 ' CE2' ' HB ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -78.02 -4.35 46.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.07 179.705 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -54.83 91.52 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.878 0.37 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 p 177.29 -37.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.591 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.469 ' HB ' ' CE2' ' A' ' 54' ' ' TYR . 53.4 t -66.59 -67.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.091 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.431 ' CE3' ' HA ' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -113.62 120.66 41.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.231 -179.551 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 58.16 69.57 1.47 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -65.73 71.71 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.782 2.321 . . . . 0.0 112.284 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -176.48 175.64 1.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.192 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -59.82 109.2 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.11 38.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.029 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.6 p -54.12 -32.88 23.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.991 0.424 . . . . 0.0 110.516 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.7 m -58.55 -39.98 81.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.015 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -63.04 -32.74 74.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.972 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.652 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -62.6 -50.56 70.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.964 179.489 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -62.41 -27.94 69.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.04 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -68.84 -50.22 51.84 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.492 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.652 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.1 p-80 -82.42 -16.08 50.29 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.416 -0.513 . . . . 0.0 110.135 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.435 ' CZ2' ' CE1' ' A' ' 47' ' ' PHE . 27.0 t-105 -82.32 -33.55 28.92 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -39.5 60.24 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.937 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -70.48 -38.3 69.34 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.983 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.2 m -70.73 -34.46 71.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.874 0.369 . . . . 0.0 110.596 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.2 tt -54.63 -41.15 69.7 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.47 92.35 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.786 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -109.2 45.19 1.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.021 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.6 tttt 59.63 30.77 20.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.009 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.3 t 61.1 155.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.207 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.2 mp -72.64 156.53 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.068 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -61.86 147.87 45.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -163.45 88.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -121.87 166.46 14.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.31 165.26 9.7 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.474 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -121.2 30.37 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.372 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.1 151.78 42.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.59 -22.11 70.64 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.673 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.42 98.46 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.844 0.354 . . . . 0.0 110.871 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -152.13 168.05 26.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.8 p -141.4 -175.54 4.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.5 m -142.16 114.86 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.079 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.08 96.84 1.81 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -130.26 130.61 44.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -87.24 -80.22 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.417 ' CB ' ' HD3' ' A' ' 96' ' ' PRO . 0.2 OUTLIER -94.73 -54.41 0.23 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.121 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.417 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 52.0 Cg_exo -54.51 133.73 58.08 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.343 2.029 . . . . 0.0 112.261 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -154.48 178.69 9.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -75.52 106.26 6.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 61.11 58.1 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.44 36.44 3.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -145.11 -177.05 5.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.59 162.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -153.73 154.0 33.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 62.94 146.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 13.6 t30 59.96 31.62 20.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.85 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -51.98 101.5 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.605 2.203 . . . . 0.0 112.35 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 172.93 68.48 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.556 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.9 144.53 50.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt 60.57 107.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -86.94 112.73 22.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 60.3 169.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -105.41 155.12 19.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.63 36.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.167 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -61.78 -66.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.9 p -126.52 145.46 34.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.042 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.79 -72.21 0.23 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.568 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.3 t -119.32 159.03 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.741 0.305 . . . . 0.0 111.118 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.34 98.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.383 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.5 m -134.87 -45.26 0.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.81 0.338 . . . . 0.0 111.093 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -98.46 157.78 16.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 t 70.3 -64.27 0.37 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.41 65.8 0.57 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.768 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 176.72 39.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.837 0.351 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -122.12 90.4 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.89 87.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.975 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -169.64 167.1 9.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.91 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 61.18 111.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.96 65.91 0.36 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.428 ' C ' ' H ' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -60.97 155.29 20.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.036 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -73.04 52.01 0.32 Allowed 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.428 ' H ' ' C ' ' A' ' 25' ' ' PHE . . . 168.53 -26.53 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.978 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -51.94 -29.1 18.9 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-O 120.825 0.345 . . . . 0.0 110.782 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.403 ' OE2' ' CE3' ' A' ' 58' ' ' TRP . 1.5 tt0 -64.62 -50.63 66.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.689 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.36 -29.47 61.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.765 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.442 ' HA ' HG12 ' A' ' 34' ' ' ILE . 12.7 mm-40 -67.31 -36.59 81.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.109 0.481 . . . . 0.0 110.496 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.02 -35.03 71.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.917 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.0 mt -71.32 -41.01 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.939 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.442 HG12 ' HA ' ' A' ' 31' ' ' GLU . 40.1 pt -65.71 -36.48 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -36.35 66.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.24 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.404 ' HA3' HG13 ' A' ' 50' ' ' ILE . . . -64.54 -51.25 53.81 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.335 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.417 HD21 ' CD1' ' A' ' 47' ' ' PHE . 0.8 OUTLIER -70.38 -31.73 69.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.942 0.401 . . . . 0.0 110.814 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.85 -25.84 68.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.087 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -98.88 -42.7 7.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.456 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.465 ' CE2' HG12 ' A' ' 50' ' ' ILE . 32.4 p90 -143.58 129.7 19.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.829 0.347 . . . . 0.0 111.481 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.5 t 177.51 55.84 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.739 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -103.5 49.27 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.04 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.24 11.59 3.56 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.792 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.31 24.2 3.69 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.689 0.28 . . . . 0.0 111.205 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -178.59 38.21 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.752 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -72.98 -23.3 60.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.442 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.417 ' CD1' HD21 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -44.65 -42.06 7.18 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.662 0.267 . . . . 0.0 111.591 -179.033 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -70.31 -52.49 22.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.814 0.34 . . . . 0.0 111.283 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.68 -50.36 73.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.984 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.465 HG12 ' CE2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -58.33 -39.5 74.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.533 179.789 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.494 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 38.6 t80 -54.74 -49.16 71.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.42 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -68.38 -27.61 66.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.003 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.34 -52.17 20.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.32 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.494 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -78.39 -0.83 30.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.417 179.765 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -53.14 93.17 0.01 OUTLIER 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.823 0.344 . . . . 0.0 111.094 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.5 p -177.41 -40.46 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.639 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.2 m -65.69 -29.57 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.434 ' CG ' ' HD2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -113.16 146.27 39.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.402 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -62.04 -53.41 59.66 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.071 -179.835 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 58' ' ' TRP . 76.9 Cg_exo -49.78 142.7 24.8 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.591 2.194 . . . . 0.0 112.415 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -131.72 34.77 3.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.089 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.24 90.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.5 49.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.6 t -54.45 -37.26 37.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.64 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.32 -47.73 84.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.328 0.585 . . . . 0.0 109.491 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.433 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 4.6 mm-40 -59.58 -35.66 74.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.519 178.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.591 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -54.79 -50.11 69.32 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.159 179.087 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -63.34 -28.56 70.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.556 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -49.58 69.41 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.554 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.591 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.52 -33.29 62.74 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.788 179.507 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -72.79 -28.56 62.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.597 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.66 -41.29 54.38 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.01 0.433 . . . . 0.0 110.51 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -72.86 -28.26 67.29 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.282 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.0 p -78.61 -37.16 42.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.837 0.351 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.0 -24.67 55.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.107 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? 60.91 77.19 0.34 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.424 ' CD2' HD13 ' A' ' 80' ' ' ILE . 15.9 m-85 58.91 174.52 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -68.09 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.5 m -159.59 33.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.424 HD13 ' CD2' ' A' ' 77' ' ' TYR . 1.3 pp -126.9 31.76 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.63 126.46 11.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.38 -43.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -52.2 109.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.028 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -152.99 140.46 7.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.464 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -118.66 33.78 5.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.88 0.372 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -109.53 -66.43 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 133.02 143.41 5.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.557 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.31 -178.69 4.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 60.59 32.12 20.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.59 137.06 41.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 28.7 m -72.07 151.29 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.19 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.8 104.56 2.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -123.93 150.55 44.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -167.69 -43.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.37 101.13 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.66 101.98 0.7 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.441 2.094 . . . . 0.0 112.249 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -152.64 131.5 12.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.814 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.37 -25.86 11.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.057 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 64.99 110.69 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 m 61.58 114.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 36.8 p-10 -130.23 118.53 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.828 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.0 ttp -131.34 -58.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -126.89 -45.23 1.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.2 t30 60.86 37.57 18.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -151.04 96.95 2.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.872 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.603 -0.199 . . . . 0.0 112.603 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.54 -170.82 0.72 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.599 2.199 . . . . 0.0 112.3 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 91.48 134.24 6.16 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.76 159.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.847 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.43 68.86 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -120.31 -39.86 2.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.972 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 63.66 129.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.967 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -77.74 150.83 34.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.16 138.05 6.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.483 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 4.4 m120 -99.14 36.82 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' ' 10' ' ' ASN . 7.6 p 51.44 161.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.014 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.07 -159.54 32.11 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.612 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.7 m -110.46 28.1 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.738 0.304 . . . . 0.0 111.164 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 123.76 68.3 0.21 Allowed Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.509 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.1 p 54.8 49.97 16.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.888 0.375 . . . . 0.0 111.045 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.2 104.68 8.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 m -139.48 100.31 3.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.35 106.59 3.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.462 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -90.32 -65.38 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.78 -170.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.786 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -102.24 169.35 8.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -146.28 125.69 13.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.63 -45.65 6.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.016 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.19 69.14 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.44 ' O ' ' N ' ' A' ' 27' ' ' ALA . 39.4 m-85 -50.18 142.2 10.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.992 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.13 61.92 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' PHE . . . 65.04 22.15 12.35 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.385 -178.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.431 ' CB ' ' HB3' ' A' ' 25' ' ' PHE . 7.9 t -59.2 -38.64 80.39 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-O 120.837 0.351 . . . . 0.0 111.078 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.418 ' O ' HG13 ' A' ' 33' ' ' ILE . 1.9 pt-20 -58.97 -52.65 64.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.055 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.11 -40.1 94.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.427 ' O ' HG13 ' A' ' 34' ' ' ILE . 4.8 tt0 -60.76 -29.64 69.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.691 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.47 -38.8 54.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.803 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 29' ' ' GLU . 1.2 mt -71.89 -37.93 63.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.959 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 31' ' ' GLU . 2.8 pp -69.15 -38.97 78.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.959 0.409 . . . . 0.0 110.161 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.4 ' N ' ' CD1' ' A' ' 34' ' ' ILE . 1.7 tmtm? -72.56 -41.42 65.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.558 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.49 -48.4 85.09 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.639 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -42.5 86.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.847 0.356 . . . . 0.0 110.356 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.72 -29.42 59.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.987 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.406 ' O ' ' CG ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -117.94 27.59 8.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.254 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.406 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 35.1 m-85 -160.21 93.14 1.03 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.821 0.343 . . . . 0.0 110.853 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.5 p -161.99 77.46 0.51 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.09 -36.52 5.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.16 -161.76 17.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.534 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -99.91 32.72 2.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.751 0.31 . . . . 0.0 110.95 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -156.66 78.24 0.92 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.984 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.8 -28.5 12.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.805 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.415 ' CD1' ' CD1' ' A' ' 71' ' ' TRP . 39.4 m-85 -63.95 -50.03 70.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -42.86 71.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.844 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -62.73 -50.44 71.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -59.07 -38.37 73.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.068 0.461 . . . . 0.0 110.595 179.755 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.469 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 64.7 t80 -60.42 -39.96 89.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.749 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -68.33 -36.09 78.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.44 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.04 -52.65 22.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.921 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.482 ' O ' ' CD1' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -79.3 0.85 27.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.213 179.288 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.06 94.04 0.01 OUTLIER 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.942 0.401 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.81 -35.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.579 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.8 t -77.39 -58.35 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.156 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.467 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -68.77 -74.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.937 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -158.66 111.6 1.64 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.088 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.73 76.03 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.431 2.087 . . . . 0.0 112.275 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -176.01 164.2 2.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.173 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.7 mtm-85 -59.61 120.5 9.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -162.07 37.58 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.5 t -60.12 -35.41 61.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.0 m -59.63 -50.01 75.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.174 0.511 . . . . 0.0 110.178 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 69' ' ' ASP . 1.6 tt0 -60.49 -32.09 71.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.911 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.653 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -64.59 -50.74 66.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.474 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -61.3 -28.05 68.92 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.819 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 66' ' ' GLN . 7.5 m-20 -66.2 -50.02 65.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.569 -0.742 . . . . 0.0 112.114 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.653 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.2 p-80 -79.84 -15.29 57.68 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.298 -0.561 . . . . 0.0 111.114 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.451 ' HA ' ' CE3' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -86.56 -32.02 20.9 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 177.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -77.21 -32.78 56.19 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.075 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.53 -40.44 12.83 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.168 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.9 m -67.26 -44.25 79.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.84 0.352 . . . . 0.0 110.623 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.2 -65.69 0.99 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.789 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 58.76 178.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.965 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 61.37 98.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.51 -35.07 5.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.1 p -129.27 158.55 41.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.154 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.4 mt -145.52 139.3 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.055 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 60.84 112.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -156.12 166.31 33.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.787 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.7 163.38 27.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -108.33 -166.23 21.16 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.72 144.69 16.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -100.07 114.38 27.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -164.75 47.62 0.29 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.46 90.06 7.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -115.62 -68.13 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.99 122.92 6.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.94 -30.99 13.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.35 143.06 58.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.177 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -173.38 178.25 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -112.72 25.14 11.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.414 ' CB ' ' CD ' ' A' ' 96' ' ' PRO . 1.7 t 179.57 -61.66 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.733 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 95' ' ' SER . 55.5 Cg_endo -69.66 80.31 0.86 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.545 2.163 . . . . 0.0 112.253 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -94.75 -63.05 1.22 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.814 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.18 142.51 48.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 62.07 112.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.7 t -170.09 104.51 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -155.39 173.21 16.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.74 32.24 5.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -93.59 103.27 15.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -125.7 168.26 14.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -113.84 105.58 13.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.958 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.145 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.4 -178.79 2.36 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.612 2.208 . . . . 0.0 112.267 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 162.58 -47.07 0.34 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.473 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.37 -78.65 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.765 0.317 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.49 105.51 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m 60.54 93.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -151.19 31.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.794 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -126.53 -45.05 1.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.48 115.98 9.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -72.46 118.37 15.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t 61.38 112.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.1 -137.77 8.81 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.506 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.4 t -66.84 -30.94 51.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.806 0.336 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.31 102.68 0.9 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.559 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.9 t -91.33 164.8 13.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.8 t 61.16 107.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.9 t -104.03 31.86 4.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -99.46 -151.6 26.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.429 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -144.79 -66.6 0.33 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.877 0.37 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -100.23 153.35 19.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -176.44 42.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.82 31.45 0.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -113.61 -55.58 2.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.13 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -158.72 149.67 20.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.162 0.506 . . . . 0.0 110.823 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.485 ' C ' ' H ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER 176.72 161.79 0.4 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.2 -179.669 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.8 p -71.78 47.42 0.14 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' A' ' 25' ' ' PHE . . . 167.35 -23.87 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.365 -179.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.8 t -51.16 -47.13 62.21 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.827 0.346 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.444 ' HG2' ' N ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -63.6 -43.45 96.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.321 179.561 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.444 ' N ' ' HG2' ' A' ' 29' ' ' GLU . 8.3 m-20 -60.33 -36.61 78.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.51 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.404 ' HA ' HG23 ' A' ' 34' ' ' ILE . 82.0 mt-10 -68.94 -29.87 68.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.482 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.51 77.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.403 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.5 mt -64.3 -50.78 75.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.59 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.404 HG23 ' HA ' ' A' ' 31' ' ' GLU . 6.5 tp -58.82 -40.25 79.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.722 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -33.5 68.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.119 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.04 -42.5 84.64 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.992 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 mt -67.21 -39.94 86.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.8 0.334 . . . . 0.0 110.806 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.36 -14.55 61.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.782 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.37 -21.59 11.3 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -90.58 -87.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.573 0.225 . . . . 0.0 111.039 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.5 p 46.15 43.99 11.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.832 0.348 . . . . 0.0 111.32 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.74 38.93 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.025 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 162.33 -166.54 36.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -103.48 37.67 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -169.35 41.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -25.88 43.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.478 ' O ' HG21 ' A' ' 50' ' ' ILE . 60.0 m-85 -60.48 -49.49 77.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.903 0.382 . . . . 0.0 110.961 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -44.93 67.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.745 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.55 -50.57 73.31 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.806 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.478 HG21 ' O ' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -59.96 -37.56 72.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.969 0.414 . . . . 0.0 110.332 179.42 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.449 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 60.4 t80 -53.04 -52.94 56.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.411 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.419 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . 31.5 m-85 -66.1 -25.72 67.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.583 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.8 -51.53 32.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.959 0.409 . . . . 0.0 110.852 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.461 ' CD1' ' O ' ' A' ' 54' ' ' TYR . 1.0 OUTLIER -78.54 5.11 11.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.073 -179.901 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.419 ' HG3' ' HA ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -52.86 -23.29 6.73 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.249 -0.282 . . . . 0.0 111.255 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 90.4 p -78.65 -59.99 2.56 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.617 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.3 p -47.67 -31.62 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.701 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -115.7 -159.86 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.597 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.514 ' N ' ' HD3' ' A' ' 60' ' ' PRO . 28.1 m80 -132.84 55.12 15.68 Favored Pre-proline 0 CA--C 1.53 0.198 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.514 ' HD3' ' N ' ' A' ' 59' ' ' HIS . 87.1 Cg_endo -92.25 -165.06 0.14 Allowed 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 122.857 2.371 . . . . 0.0 112.195 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -159.19 -67.17 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.001 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.9 ptt85 -154.52 49.24 0.6 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.379 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.475 ' HB ' ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER -108.38 65.06 0.62 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.286 -179.578 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 63.3 t -56.63 -33.27 39.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.133 0.492 . . . . 0.0 109.744 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.6 t -60.52 -40.3 90.94 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.475 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 2.9 mm100 -63.05 -37.87 88.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.516 178.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.522 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 3.1 tm? -53.94 -49.17 69.29 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.636 178.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.66 -28.71 70.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.713 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.43 -49.51 66.51 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.106 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.522 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -76.74 -30.92 56.81 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 46.5 t90 -71.73 -33.34 68.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.267 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -76.07 -39.64 54.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.22 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.26 -28.39 72.73 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.213 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 48.5 m -77.79 -42.11 35.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.808 0.337 . . . . 0.0 110.631 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.8 tp -158.48 81.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -77.79 -178.87 5.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -154.09 135.76 14.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.811 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -157.48 79.4 0.88 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.68 98.92 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.075 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.2 pt -141.64 119.26 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.098 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.91 87.0 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -122.45 108.83 13.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -111.47 -33.87 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -178.37 140.08 4.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.516 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -150.09 36.28 0.68 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.2 ptp85 -167.94 111.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.763 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 178.35 -36.48 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.408 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -83.56 91.2 7.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 60.85 92.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.829 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 m -78.47 -35.35 46.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.3 m -107.13 124.69 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.187 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -139.15 -177.23 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -111.0 -175.24 2.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -152.2 175.87 12.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.42 166.21 11.93 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.784 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.19 139.99 47.87 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.504 2.136 . . . . 0.0 112.286 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.13 108.15 4.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.75 107.69 17.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.76 -178.67 5.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.09 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.8 t -119.8 167.9 11.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -146.37 91.01 2.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 56.6 mtt -136.87 177.93 7.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 60.68 100.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.819 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -153.97 156.36 37.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.39 152.49 38.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.868 -179.952 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.151 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.62 62.89 2.98 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.488 2.125 . . . . 0.0 112.317 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 84.92 166.23 41.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.536 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.5 p -176.48 -43.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.935 0.397 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tt -138.18 -47.67 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.821 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.4 p -84.97 130.72 34.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 60.45 164.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.825 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -135.6 94.96 3.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.23 77.29 1.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -155.86 -45.02 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.9 p -55.71 138.31 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.86 -36.6 3.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.51 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.9 m 41.61 74.69 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.809 0.338 . . . . 0.0 111.773 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.81 143.94 45.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.5 m -67.48 116.64 8.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.349 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.76 165.78 26.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.74 -172.52 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -145.78 117.59 1.0 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -172.66 171.42 4.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.714 0.293 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -121.77 -77.57 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.31 -79.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 mtt-85 -141.1 136.68 32.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.54 -77.72 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt 170.58 47.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.987 0.423 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.469 ' O ' ' N ' ' A' ' 27' ' ' ALA . 15.6 p90 -48.99 134.32 17.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.719 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.32 61.73 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' PHE . . . 59.74 27.39 16.66 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.257 -178.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' A' ' 29' ' ' GLU . 51.9 p -56.86 -65.65 0.58 Allowed 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.026 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -56.0 -46.9 78.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.142 0.496 . . . . 0.0 110.295 179.572 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.9 -31.02 68.23 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.627 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.472 ' HA ' HG12 ' A' ' 34' ' ' ILE . 55.5 tt0 -66.37 -36.5 83.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.964 0.411 . . . . 0.0 110.527 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.412 ' HB2' ' CG ' ' A' ' 54' ' ' TYR . . . -71.13 -35.69 71.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.442 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 8.0 mt -73.02 -38.72 56.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.771 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.472 HG12 ' HA ' ' A' ' 31' ' ' GLU . 46.0 pt -66.4 -35.62 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-O 121.001 0.429 . . . . 0.0 110.32 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -68.36 -40.02 81.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.034 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.27 -29.4 70.3 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.201 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.422 HD12 ' CD1' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -75.6 -36.28 60.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.978 0.418 . . . . 0.0 110.674 179.824 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.33 -3.14 59.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.655 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -103.63 -42.73 5.56 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -149.75 115.11 5.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.302 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.408 ' CG2' ' HA ' ' A' ' 37' ' ' LEU . 71.4 p -157.79 87.14 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.5 mtmm -113.16 30.71 6.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.758 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.3 -168.01 27.83 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.44 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.81 34.34 5.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -154.01 30.21 0.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -24.44 30.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.028 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.422 ' CD1' HD12 ' A' ' 37' ' ' LEU . 47.7 m-85 -52.78 -45.99 67.37 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.026 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -63.22 -45.2 92.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -57.72 -47.62 81.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.737 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.442 ' CG2' ' HA ' ' A' ' 33' ' ' ILE . 51.9 mt -58.64 -38.98 74.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.703 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.49 ' CD1' HD21 ' A' ' 67' ' ' LEU . 60.7 t80 -58.86 -44.82 91.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.784 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -68.22 -28.52 67.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.115 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.72 -52.51 10.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 110.843 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.476 ' O ' ' CD1' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -79.39 0.34 29.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.722 179.708 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -53.09 -25.05 11.58 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.67 0.271 . . . . 0.0 111.216 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.74 -18.46 62.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.996 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.0 t -89.74 -75.23 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.842 0.353 . . . . 0.0 111.361 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -117.17 139.9 50.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.446 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.7 m170 52.53 92.69 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.405 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -77.33 -26.34 7.51 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.583 2.189 . . . . 0.0 112.383 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.71 -168.03 0.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.222 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -95.99 136.55 36.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -167.44 42.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.642 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 68.3 t -52.49 -35.78 20.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -60.74 -48.41 81.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.149 0.499 . . . . 0.0 109.682 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -60.28 -32.52 71.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.893 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.699 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -61.72 -51.08 69.85 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.401 179.742 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -61.78 -28.11 69.22 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.849 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -66.09 -49.99 65.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.707 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.699 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.0 p-80 -79.83 -17.27 53.69 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.076 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.478 ' HA ' ' CE3' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -84.43 -29.83 25.81 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.061 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -79.12 -33.05 44.63 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.155 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.05 -37.02 23.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.445 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.3 p -74.11 -48.25 30.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.794 0.33 . . . . 0.0 111.011 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 tt -57.73 -43.3 85.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.982 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.72 100.3 12.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.37 -176.98 3.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.97 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.411 ' O ' ' CG1' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -164.36 -171.01 2.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.741 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.411 ' CG1' ' O ' ' A' ' 78' ' ' LYS . 11.6 p 45.24 29.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.682 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 78.0 mt -142.61 127.79 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.925 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -124.69 105.5 9.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -104.56 123.88 48.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.37 158.76 43.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -174.13 118.13 0.67 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 60.08 160.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.347 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.07 118.55 15.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.21 -113.05 5.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.14 146.54 42.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.884 0.373 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -127.37 -176.74 3.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.6 t -156.46 173.81 16.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.7 t -128.99 61.63 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.059 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 58.38 27.96 16.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -177.54 119.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.038 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.97 94.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.42 ' N ' ' CD ' ' A' ' 96' ' ' PRO . 0.5 OUTLIER -67.34 -52.23 29.83 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.984 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.42 ' CD ' ' N ' ' A' ' 95' ' ' SER . 37.0 Cg_exo -57.22 85.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.452 2.102 . . . . 0.0 112.203 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -135.78 155.76 49.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.994 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.59 80.12 1.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -151.08 126.01 9.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 m -112.11 -35.5 5.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -78.23 64.23 3.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.798 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.95 172.69 6.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 60.81 41.19 14.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.2 m120 61.25 160.78 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -162.49 91.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.816 -179.942 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.75 -24.91 34.15 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.574 2.183 . . . . 0.0 112.328 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 124.57 114.61 2.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.488 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.2 p -151.85 -177.88 6.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.92 179.81 4.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m 61.11 38.5 16.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -146.21 104.81 3.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -144.14 146.88 33.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.007 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.15 -28.71 69.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.211 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.11 162.91 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.0 m -141.32 90.63 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.124 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.64 43.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.557 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.5 p -179.18 142.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.35 . . . . 0.0 111.056 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 165.03 -127.17 1.59 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.557 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.97 128.62 23.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.772 0.32 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.09 117.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 p -86.0 109.42 18.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.802 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.07 162.91 36.92 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -125.33 94.13 4.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.756 0.312 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -112.42 174.01 6.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -122.4 135.57 54.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.08 100.42 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.77 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 58.42 22.2 9.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.021 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.05 -175.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.314 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.684 ' O ' ' N ' ' A' ' 27' ' ' ALA . 0.1 OUTLIER 62.46 111.83 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 -178.713 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.86 68.33 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.953 0.406 . . . . 0.0 110.461 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.684 ' N ' ' O ' ' A' ' 25' ' ' PHE . . . 51.13 26.7 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.578 -179.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.421 ' HB3' ' CD1' ' A' ' 25' ' ' PHE . 5.8 t -65.09 -31.7 73.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.261 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.456 ' O ' HG13 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -56.38 -52.85 63.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.954 -179.785 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -61.39 -38.47 87.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' O ' HG13 ' A' ' 34' ' ' ILE . 7.2 mt-10 -68.43 -29.19 67.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.704 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.26 -36.44 69.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.206 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 29' ' ' GLU . 4.0 mt -70.83 -44.2 76.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.61 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 31' ' ' GLU . 2.6 pp -65.94 -41.61 90.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -30.07 62.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.005 0.431 . . . . 0.0 110.079 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.6 -43.8 84.51 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.134 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.428 HD22 ' CE1' ' A' ' 47' ' ' PHE . 3.1 mp -69.06 -42.25 76.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.761 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.05 -21.06 66.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.443 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -104.48 -22.04 13.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.369 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -115.07 126.4 54.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.069 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -168.53 82.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -136.97 32.47 2.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.54 -168.77 48.33 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.561 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 59.71 30.0 19.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.18 94.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.5 ptt-85 -57.93 -26.24 61.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.517 ' O ' HG22 ' A' ' 50' ' ' ILE . 72.0 m-85 -62.81 -49.07 76.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.973 0.416 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -70.54 -48.28 56.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.776 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -59.25 -50.45 73.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -58.75 -37.9 68.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.304 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -62.3 -37.15 84.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.32 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -61.84 -47.41 85.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.336 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.68 -32.22 69.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.095 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.453 ' CE1' ' HB ' ' A' ' 57' ' ' VAL . 2.6 t80 -78.4 -8.72 58.79 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.372 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -53.53 -36.22 61.55 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.689 0.28 . . . . 0.0 111.142 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.8 t -55.59 -23.1 25.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.285 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.453 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 47.6 t -83.52 -73.17 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.341 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -114.09 155.59 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.136 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -177.21 58.74 0.15 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.42 -75.14 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.556 2.171 . . . . 0.0 112.578 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -129.19 -87.35 0.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.278 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -57.86 -175.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.684 -0.235 . . . . 0.0 110.538 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 p -125.95 -99.95 0.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.437 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.7 t -51.22 -27.41 6.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-O 120.93 0.395 . . . . 0.0 110.07 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 t -66.59 -40.06 88.73 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.457 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -64.49 -39.23 93.4 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.464 178.722 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.538 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 2.4 tm? -55.22 -47.1 75.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.793 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -64.65 -28.54 69.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.662 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.66 -49.47 68.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.088 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.538 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -76.71 -30.91 56.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.121 0.486 . . . . 0.0 109.715 179.086 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 20.4 t-105 -73.03 -31.24 64.32 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.308 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.38 -36.96 53.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.446 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.39 -29.32 64.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.253 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.9 m -77.45 -43.63 31.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.759 0.314 . . . . 0.0 110.71 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.52 -49.04 79.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -104.85 99.86 9.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.14 -167.77 2.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -97.74 165.52 11.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.44 -60.44 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.5 pp -142.64 137.74 28.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.211 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.89 -55.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -79.01 -51.66 9.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.18 168.39 10.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 157.01 153.36 6.63 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.76 100.84 10.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.66 139.24 40.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 169.23 82.01 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.543 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -120.78 -41.83 2.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.907 0.384 . . . . 0.0 110.938 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -57.57 -29.78 64.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.51 85.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.4 m -141.69 125.52 16.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.189 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -122.98 109.04 13.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -143.19 -176.05 4.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -89.09 139.49 30.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 96' ' ' PRO . 1.4 m -72.95 -62.3 1.33 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 95' ' ' SER . 53.0 Cg_endo -69.65 86.89 0.55 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.419 2.079 . . . . 0.0 112.253 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -148.71 -53.12 0.18 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.35 153.46 29.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.856 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.29 -64.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.26 -68.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.29 -46.9 1.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.2 102.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -115.83 -178.11 3.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -112.0 -49.72 2.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -104.26 171.36 7.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.842 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.088 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.05 114.75 1.76 Allowed 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.607 2.205 . . . . 0.0 112.244 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.99 118.69 4.82 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.9 p -163.38 154.77 16.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.07 169.29 1.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m 179.65 -36.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 66.75 89.49 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -89.45 -37.04 15.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.06 -175.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -85.96 167.92 14.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t 59.68 106.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.166 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.11 173.87 22.21 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.548 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.0 p -127.58 142.54 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 111.022 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 68.85 73.01 0.75 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.95 -46.54 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.771 0.32 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 p -113.42 154.99 26.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 t -114.34 121.14 42.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.87 73.19 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.522 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.4 112.42 6.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -136.17 -179.81 5.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.1 tttt 62.19 150.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -129.68 96.97 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -152.2 -61.63 0.16 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.79 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -102.02 125.29 48.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.227 0.537 . . . . 0.0 111.004 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.457 ' C ' ' H ' ' A' ' 27' ' ' ALA . 1.4 m-85 -153.3 161.7 42.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.043 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -71.14 48.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.457 ' H ' ' C ' ' A' ' 25' ' ' PHE . . . 168.09 -24.27 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.595 -179.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.407 ' HB2' ' HB2' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -55.27 -27.2 44.95 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-O 120.706 0.289 . . . . 0.0 111.144 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.432 ' O ' HG13 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -58.69 -52.7 64.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.919 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -57.65 -40.29 78.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.597 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 34' ' ' ILE . 6.4 mp0 -68.58 -29.47 68.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.685 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.15 -36.27 74.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.438 HG23 HD13 ' A' ' 33' ' ' ILE . 4.0 mt -71.23 -47.28 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.545 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 31' ' ' GLU . 2.8 pp -63.57 -37.82 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.305 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -37.23 65.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.198 0.523 . . . . 0.0 110.032 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.408 ' O ' ' CD1' ' A' ' 40' ' ' PHE . . . -63.64 -47.05 90.34 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.175 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.31 -40.11 77.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.713 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.67 -23.56 59.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.431 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -91.54 -32.87 15.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.245 -179.764 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.431 ' CE2' ' HB3' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -148.84 129.12 13.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 111.367 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.7 t 170.4 84.46 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.502 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -119.39 42.79 2.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.996 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 112.41 178.06 19.84 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.673 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.08 21.68 9.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.687 0.28 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 50.45 87.2 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -23.58 66.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.252 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -45.1 -41.87 8.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.707 0.289 . . . . 0.0 111.734 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -52.18 24.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 111.229 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -50.37 73.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.439 HG23 HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.73 -37.93 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.619 179.678 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.45 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 30.8 t80 -58.41 -41.71 85.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.302 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -68.26 -34.67 76.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.4 -52.43 39.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.3 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.452 ' CD1' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -78.62 -1.17 32.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.374 179.825 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -53.24 -31.2 42.2 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.859 0.361 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 m -63.5 -20.77 65.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.026 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.2 t -80.05 -74.36 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.375 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -121.63 158.46 28.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.234 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 55.36 84.79 0.2 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.17 -11.02 26.65 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.619 2.213 . . . . 0.0 112.773 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -104.22 158.88 16.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 111.246 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.1 mtt85 -66.99 142.22 57.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.418 ' OG1' ' HB2' ' A' ' 66' ' ' GLN . 14.5 t -176.66 51.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.144 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.7 t -50.59 -32.92 10.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 120.963 0.411 . . . . 0.0 109.987 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.3 m -58.9 -43.13 90.97 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.42 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 15.8 mt-30 -61.54 -36.81 81.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.397 178.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.605 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 1.0 OUTLIER -53.81 -50.02 67.07 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.863 178.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -63.4 -28.53 70.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.612 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -65.46 -49.66 68.27 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.427 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.605 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -75.62 -28.23 58.76 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 178.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 26.1 t-105 -69.65 -35.8 75.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.282 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -40.19 63.08 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.16 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.71 -30.75 72.76 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.107 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.9 m -72.06 -45.68 59.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.815 0.341 . . . . 0.0 110.556 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.65 -37.32 73.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.73 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.61 89.27 7.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -67.96 146.42 53.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.976 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -140.72 69.92 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.1 m -88.71 -33.17 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.16 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.8 pt -87.33 74.57 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.199 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.79 137.57 3.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.952 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -100.41 136.4 40.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -132.53 70.56 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 126.96 -178.52 16.81 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.45 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -108.23 123.64 49.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.8 mmm-85 -98.61 146.38 25.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 93.43 63.38 1.07 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.399 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -145.95 166.9 24.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.751 0.31 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -92.05 95.05 9.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.53 83.12 0.15 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.7 p -81.06 134.61 26.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 59.73 178.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.107 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -129.31 106.7 8.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -126.97 93.26 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.1 p 63.25 137.41 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.6 124.32 15.5 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.479 2.119 . . . . 0.0 112.282 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 61.9 149.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.16 171.91 19.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.37 155.13 24.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.42 -58.07 0.64 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -114.35 120.9 41.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.3 tpp -99.59 87.48 3.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 60.74 30.6 19.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 59.87 177.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -96.62 146.14 25.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.9 -179.911 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.114 0 N-CA-C 112.577 -0.209 . . . . 0.0 112.577 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.22 108.47 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.608 2.205 . . . . 0.0 112.309 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.1 -73.44 0.22 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.5 p -66.53 175.3 2.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.785 0.326 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.1 102.23 6.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.3 129.15 41.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -135.04 160.88 36.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.002 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -99.65 130.83 45.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -173.7 129.61 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.157 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -138.22 88.33 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.8 m -105.81 159.86 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.92 -178.9 22.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.3 m -139.74 -46.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 0.0 111.14 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 110.21 -72.84 0.21 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 m 68.71 -67.91 0.19 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.837 0.351 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.9 m 68.55 -68.56 0.17 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.987 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m 61.24 164.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.19 160.15 26.87 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 tttt -117.24 104.96 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.18 171.46 10.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -120.81 30.65 6.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -143.21 86.91 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.408 ' CE1' HG22 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -153.47 39.45 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.877 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.3 pttt -166.27 45.0 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.43 ' HB3' ' CB ' ' A' ' 28' ' ' SER . 46.4 t80 -57.79 155.72 9.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.227 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.9 p -72.43 52.95 0.29 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.29 0.567 . . . . 0.0 109.533 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 164.77 -24.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.145 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.43 ' CB ' ' HB3' ' A' ' 25' ' ' PHE . 1.2 m -53.27 -41.07 65.16 Favored 'General case' 0 C--N 1.34 0.159 0 CA-C-O 120.893 0.378 . . . . 0.0 111.099 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' O ' HG13 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -56.77 -52.6 64.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.96 -179.856 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.82 -42.82 94.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.405 ' HA ' HG12 ' A' ' 34' ' ' ILE . 3.6 tt0 -58.79 -33.35 70.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.56 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.427 ' HA ' ' HG2' ' A' ' 35' ' ' LYS . . . -71.91 -36.86 70.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.986 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 29' ' ' GLU . 1.8 mt -69.72 -39.06 77.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.949 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.406 HG13 ' N ' ' A' ' 35' ' ' LYS . 32.7 pt -66.43 -40.94 87.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.427 ' HG2' ' HA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -72.21 -36.58 69.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.173 0.511 . . . . 0.0 110.102 179.331 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.481 ' HA3' ' CG1' ' A' ' 50' ' ' ILE . . . -70.14 -42.24 67.83 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.119 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -31.72 71.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.835 0.35 . . . . 0.0 110.699 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.83 -23.65 60.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.367 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.1 -25.03 12.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.612 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -113.47 124.44 52.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.33 . . . . 0.0 111.273 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.405 HG22 ' HG2' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -155.76 84.12 1.03 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.891 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -33.02 61.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.047 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.52 86.15 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.788 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 55.61 52.27 11.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.874 0.369 . . . . 0.0 111.205 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -176.87 37.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.405 ' HG2' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER -88.05 -28.63 21.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.993 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.473 ' O ' HG21 ' A' ' 50' ' ' ILE . 29.8 m-85 -58.5 -46.69 86.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.777 -179.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -70.21 -54.72 11.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.953 0.406 . . . . 0.0 111.194 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -44.21 84.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.092 -179.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.481 ' CG1' ' HA3' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -62.09 -41.18 90.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.753 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.49 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 81.3 t80 -56.85 -41.94 78.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.973 0.416 . . . . 0.0 110.778 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -65.23 -43.15 92.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.505 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.22 -53.1 41.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.892 0.377 . . . . 0.0 111.068 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.49 ' CD2' ' HA ' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -79.72 4.09 17.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.491 179.262 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -24.32 9.11 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.691 0.281 . . . . 0.0 111.201 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.1 t -58.1 -26.94 63.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.863 0.363 . . . . 0.0 110.698 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.408 HG22 ' CE1' ' A' ' 23' ' ' TYR . 25.5 t -76.24 -69.18 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.547 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -71.41 179.86 2.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.71 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -173.13 56.47 0.21 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.33 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -81.8 -166.35 0.39 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.617 2.211 . . . . 0.0 112.215 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.64 -73.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.903 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -87.88 165.8 15.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.608 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 t -119.72 151.42 38.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.1 t 73.93 -52.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.522 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.2 -33.23 75.02 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -68.33 -32.69 72.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.302 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.681 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -66.64 -50.83 61.67 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.168 179.635 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -62.81 -27.91 69.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.89 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -66.07 -49.82 66.3 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.248 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.681 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.1 p-80 -82.78 -21.74 34.51 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.079 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 51.4 t-105 -79.73 -30.64 40.94 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.791 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.409 ' O ' ' HB3' ' A' ' 76' ' ' ARG . 44.1 ttm-85 -76.69 -46.27 26.25 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.108 0.48 . . . . 0.0 109.936 179.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.63 -31.01 75.31 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.254 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.9 m -81.84 -28.17 33.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.643 0.258 . . . . 0.0 111.104 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.94 68.41 0.94 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.929 0.395 . . . . 0.0 111.45 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.409 ' HB3' ' O ' ' A' ' 72' ' ' ARG . 6.6 ptt180 -76.95 -44.74 30.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.806 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -97.64 -168.79 1.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? 70.08 47.49 0.57 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.926 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.2 m -100.98 163.13 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.097 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.0 mt 63.95 123.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -81.88 -27.14 33.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 63.84 24.08 13.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.043 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.91 89.4 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.086 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.19 148.48 17.64 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -165.88 155.49 12.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.79 0.328 . . . . 0.0 110.929 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -156.71 137.23 13.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -179.46 -130.34 1.45 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.13 122.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.947 0.404 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -141.18 139.96 33.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.5 t -155.13 95.51 1.73 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.949 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.46 87.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -161.69 115.83 1.93 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.997 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -111.72 -33.37 6.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.96 129.23 16.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 m 59.66 72.01 0.84 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.62 -28.76 47.57 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.54 2.16 . . . . 0.0 112.311 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -90.62 89.41 7.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -151.55 32.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.16 115.78 9.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.175 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 40.5 t -108.85 -46.45 3.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -94.79 -43.22 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 67.95 -69.97 0.13 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.53 77.39 1.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -176.46 111.14 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -106.9 -59.6 1.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.884 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.108 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.22 -28.84 35.44 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.516 2.144 . . . . 0.0 112.326 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -141.08 176.31 21.7 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.9 t -136.45 176.04 9.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.39 113.26 14.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.2 -41.75 6.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -156.03 -56.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 9' ' ' ALA . 48.3 p90 -157.44 -45.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.416 ' N ' ' CD1' ' A' ' 8' ' ' PHE . . . 63.06 164.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -131.7 148.96 52.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.1 t -96.62 40.66 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.02 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.56 144.7 6.62 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.468 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.4 t -108.35 126.9 65.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.804 0.335 . . . . 0.0 111.151 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -126.07 53.0 0.79 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.463 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -166.51 102.97 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.33 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -164.74 154.15 13.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.4 p -168.45 171.24 9.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.6 -148.0 18.83 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.555 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.58 97.88 10.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.9 0.381 . . . . 0.0 110.94 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -164.55 32.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -105.96 29.55 6.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 -113.26 72.8 0.79 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -146.41 99.81 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.646 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -116.88 54.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.04 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -55.95 158.97 3.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.169 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -72.7 53.57 0.33 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 165.91 -25.28 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.99 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.57 -24.95 23.26 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-O 120.668 0.27 . . . . 0.0 111.195 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.417 ' HB3' ' CD1' ' A' ' 58' ' ' TRP . 1.7 mp0 -54.52 -52.56 61.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.96 0.41 . . . . 0.0 111.167 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -68.31 -35.27 77.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.47 ' O ' HG13 ' A' ' 34' ' ' ILE . 3.3 mm-40 -73.06 -29.85 63.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.56 -38.36 67.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.49 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.497 HG12 ' CE2' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -68.59 -49.13 67.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.518 179.246 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 31' ' ' GLU . 2.7 pp -56.83 -38.75 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 120.489 -0.484 . . . . 0.0 109.732 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.54 -29.86 62.71 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 177.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.56 -47.84 60.09 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.583 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 37' ' ' LEU . 10.5 mp -71.95 -32.11 66.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 111.027 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.17 -6.39 59.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.744 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.97 -33.18 4.02 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -110.23 92.29 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 111.491 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.428 ' HA ' ' CB ' ' A' ' 46' ' ' ARG . 9.6 t 179.86 91.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.03 27.93 5.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.822 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.94 -71.99 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.408 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 179.06 -38.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.766 0.317 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -134.0 67.82 1.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.073 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.428 ' CB ' ' HA ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -100.29 -24.16 14.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.717 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.469 ' O ' HG22 ' A' ' 50' ' ' ILE . 6.3 m-85 -45.48 -44.54 12.49 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.342 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -31.76 70.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.333 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -50.54 67.97 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.371 179.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -60.35 -37.62 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.886 179.131 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.429 ' CD1' HD21 ' A' ' 67' ' ' LEU . 27.7 t80 -58.2 -39.97 80.34 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.205 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -61.89 -58.97 5.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.209 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.37 -27.38 69.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.295 179.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.497 ' CE2' HG12 ' A' ' 33' ' ' ILE . 22.1 t80 -78.05 -11.16 59.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.179 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -53.38 -30.18 38.49 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.808 0.337 . . . . 0.0 111.135 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.2 t -63.76 -30.76 71.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.426 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 21.6 t -78.35 -55.04 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.171 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.491 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -94.79 -163.4 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.813 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.1 115.06 49.72 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.75 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -52.02 123.19 11.95 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.424 2.083 . . . . 0.0 112.418 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -178.52 157.95 1.04 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.43 52.85 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.07 48.88 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.052 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 87.1 t -55.03 -35.01 33.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.97 0.414 . . . . 0.0 110.393 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.6 t -59.21 -42.51 91.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.646 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.447 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 4.0 tp60 -59.86 -38.01 80.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.662 178.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.631 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -56.98 -47.63 80.33 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.095 179.033 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -63.05 -28.25 69.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.74 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -65.31 -49.55 69.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.359 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.631 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.67 -33.72 62.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.223 0.535 . . . . 0.0 109.656 179.308 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.457 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 43.3 t-105 -71.48 -32.15 67.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.651 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.55 -29.84 41.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.538 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.34 -26.59 57.04 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.252 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 51.1 p -85.3 -37.1 20.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.733 0.301 . . . . 0.0 110.951 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.62 -59.78 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 38.64 -93.27 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.89 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.3 p90 177.32 137.95 0.07 Allowed 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.867 0.365 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.16 -64.97 0.52 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.4 t -146.05 93.16 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.073 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 34.1 mm -67.04 -38.67 81.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.183 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -107.09 97.93 7.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -81.54 88.27 6.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.71 -62.35 0.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 98.74 -75.05 0.54 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.427 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -73.77 117.42 15.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -101.83 -50.17 3.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -164.43 -98.68 0.13 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.594 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.66 -176.62 5.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 110.931 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 65.06 91.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 p -108.53 151.01 26.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.5 m -95.08 -32.26 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -163.1 171.88 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -93.44 -42.61 9.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.45 109.52 7.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.42 ' N ' ' HD2' ' A' ' 96' ' ' PRO . 0.0 OUTLIER -65.85 -61.04 6.15 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.993 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 95' ' ' SER . 37.6 Cg_endo -66.31 132.19 28.78 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.482 2.121 . . . . 0.0 112.255 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -52.61 45.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.805 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.38 130.92 53.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -175.37 132.98 0.3 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.101 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 m -117.34 106.56 13.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -114.93 171.69 7.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -159.04 34.05 0.21 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.833 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 63.15 138.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -144.13 -47.58 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -148.41 77.13 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.867 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.34 -44.75 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.596 2.197 . . . . 0.0 112.398 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.34 74.54 0.76 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.471 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.82 -49.89 48.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.845 0.355 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mp -73.89 120.71 19.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.62 -72.78 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.806 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -128.5 -67.88 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -134.87 155.17 51.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.31 161.89 15.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.042 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -92.02 99.67 12.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.3 m -141.62 124.9 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.79 169.18 33.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.541 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 t -89.47 -37.12 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.819 0.342 . . . . 0.0 111.054 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.95 -106.39 2.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.3 m 60.32 161.11 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.773 0.321 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.5 p -107.6 113.46 26.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.6 p -69.23 -72.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -164.85 -83.99 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.48 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm 60.18 168.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.881 0.372 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -139.96 34.19 1.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.808 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.12 91.41 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.821 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -116.57 98.98 6.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 61.62 32.32 18.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.91 52.96 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.966 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.42 ' C ' ' H ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -60.23 152.82 23.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.856 179.797 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.3 p -73.42 52.28 0.37 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.42 ' H ' ' C ' ' A' ' 25' ' ' PHE . . . 168.02 -26.8 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.122 -0.944 . . . . 0.0 109.874 -178.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.81 -27.29 4.83 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.908 0.385 . . . . 0.0 110.798 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.18 -47.19 46.16 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.049 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -56.51 -39.33 73.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.043 0.449 . . . . 0.0 110.427 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.417 ' HA ' HG22 ' A' ' 34' ' ' ILE . 0.4 OUTLIER -66.17 -29.89 70.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.399 179.396 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.02 -38.03 78.98 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.426 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.8 mt -65.11 -51.17 69.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.534 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.417 HG22 ' HA ' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -57.73 -39.19 69.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.619 -179.864 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -67.27 -40.5 86.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.167 0.508 . . . . 0.0 109.788 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.93 -50.14 62.91 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.691 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mp -59.39 -31.19 69.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.38 . . . . 0.0 110.672 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.61 -30.77 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.43 ' O ' ' CG ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -116.4 27.14 9.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.253 -179.835 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.43 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 56.7 m-85 -158.59 -146.19 0.15 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.694 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.587 ' HA ' ' HB2' ' A' ' 46' ' ' ARG . 2.3 t 45.4 83.7 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.121 0.486 . . . . 0.0 111.721 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -135.86 22.45 3.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.289 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 128.22 155.41 8.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.37 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.19 11.7 8.47 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.2 100.36 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.97 0.414 . . . . 0.0 111.211 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.587 ' HB2' ' HA ' ' A' ' 41' ' ' THR . 4.5 mmp_? -95.14 -23.33 17.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.196 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.416 ' HB3' HD12 ' A' ' 67' ' ' LEU . 31.6 m-85 -44.33 -42.2 6.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.909 -178.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -69.61 -50.31 45.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.807 0.337 . . . . 0.0 111.168 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -50.36 73.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.987 0.422 . . . . 0.0 110.828 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.452 HG22 HD11 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.44 -37.49 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.467 179.707 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.472 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 3.7 t80 -56.37 -48.53 76.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.536 179.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -62.56 -34.53 77.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.41 -52.55 52.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.356 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.472 ' CD2' ' HA ' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -78.93 2.1 21.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.621 179.669 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.2 ttm105 -53.16 -24.96 11.91 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.749 0.309 . . . . 0.0 111.219 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 62.6 m -60.5 -26.15 66.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.725 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 80.1 t -74.84 -72.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.423 ' CE3' ' HA ' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -108.53 164.55 12.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.793 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -156.69 64.28 3.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -56.39 -166.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.628 2.218 . . . . 0.0 112.195 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.89 -34.49 59.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.994 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.23 134.0 33.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.772 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.438 ' HB ' ' CE1' ' A' ' 51' ' ' TYR . 65.6 p -101.29 169.22 9.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.015 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 63' ' ' THR . 85.5 t 70.53 -52.61 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.981 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.2 p -57.08 -46.05 82.83 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.436 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -62.89 -39.22 93.82 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.298 178.546 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.549 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 1.0 OUTLIER -54.55 -50.25 68.38 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.017 178.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.4 ' O ' ' N ' ' A' ' 72' ' ' ARG . 5.0 m-30 -62.71 -28.38 69.91 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.903 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.11 -49.37 70.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.9 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.549 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -77.18 -29.71 54.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.137 0.494 . . . . 0.0 109.709 178.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -74.21 -29.7 61.86 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.582 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' TYR . 5.2 mtm-85 -77.97 -40.35 39.63 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.035 0.445 . . . . 0.0 110.352 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -72.2 -28.24 68.56 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.209 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.1 p -77.21 -48.2 18.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.351 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.6 mt -153.71 78.15 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.95 136.01 46.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.09 84.89 2.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.4 tttm -115.58 -55.06 2.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.2 m -135.31 -48.13 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.5 mt -126.84 143.54 39.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.993 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.31 84.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 62.23 150.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.978 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -133.04 85.13 2.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -135.12 -175.61 13.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.444 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -110.06 119.27 38.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.836 0.35 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.45 79.91 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -75.66 85.65 0.85 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.637 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.83 165.93 9.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.36 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.1 t30 60.49 91.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.97 140.82 48.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.3 m -145.24 157.11 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.061 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -161.74 177.62 9.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -111.34 86.25 2.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.166 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? 62.75 -80.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.048 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.6 p -121.38 101.96 43.26 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -51.57 -179.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.483 2.122 . . . . 0.0 112.213 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -158.3 -74.15 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.47 -42.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.936 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -148.46 -68.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.52 -69.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -136.96 -63.09 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.05 -52.13 0.67 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 178.73 131.98 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.74 36.33 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.94 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -118.27 34.4 5.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.056 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.03 150.87 67.19 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.638 2.225 . . . . 0.0 112.325 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 135.75 70.36 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.437 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 t -154.95 -49.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.7 mp -92.74 -49.03 6.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.2 t 60.76 175.41 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -105.62 128.58 53.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.3 71.61 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.822 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.04 72.26 1.34 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -135.25 -47.08 0.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.812 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.4 p -111.27 107.98 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.058 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.32 -34.56 1.39 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.495 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.72 -52.27 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 111.188 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.58 -170.19 11.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 t 42.89 89.5 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.928 0.394 . . . . 0.0 111.52 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.31 -173.17 1.04 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 m 61.22 155.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.21 -37.95 0.98 Allowed Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -87.44 109.29 19.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.855 0.36 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -105.14 138.73 40.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -143.09 34.0 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.02 109.93 13.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.447 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 1.3 p90 -140.93 -60.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER 63.25 -85.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.22 179.777 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.412 ' CD1' ' HB3' ' A' ' 28' ' ' SER . 1.8 m-85 61.85 137.99 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.08 63.48 0.33 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.87 23.92 13.93 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.009 -178.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.412 ' HB3' ' CD1' ' A' ' 25' ' ' PHE . 14.3 p -53.08 -24.51 10.25 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.355 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.52 ' HG3' ' CZ2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -79.58 -52.46 7.97 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.214 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.31 -28.94 70.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.347 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -71.17 -29.52 65.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.566 179.728 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.29 -36.62 58.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.572 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.444 HD11 HG23 ' A' ' 33' ' ' ILE . 5.4 mt -71.61 -42.2 71.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.716 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 31' ' ' GLU . 2.2 pp -66.52 -39.1 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.336 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -73.54 -36.89 65.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.813 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.402 ' HA3' ' CG1' ' A' ' 50' ' ' ILE . . . -64.89 -52.18 44.52 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.719 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -36.88 78.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.806 0.336 . . . . 0.0 110.458 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.64 -24.67 67.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.419 ' O ' ' CD1' ' A' ' 40' ' ' PHE . 1.4 tmt_? -121.23 26.98 8.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.182 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 39' ' ' ARG . 28.7 m-85 -155.99 88.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.956 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 p -148.28 75.67 1.34 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.32 -34.63 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.959 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.03 -167.46 21.44 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.706 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.21 30.22 3.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.7 0.286 . . . . 0.0 110.842 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.14 69.82 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.999 0.428 . . . . 0.0 110.725 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.32 -32.34 55.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.986 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.415 ' O ' HG23 ' A' ' 50' ' ' ILE . 27.9 m-85 -60.46 -46.09 91.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.257 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.15 -53.32 17.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.018 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.74 -47.31 82.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.325 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.462 HG22 HD12 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -61.72 -39.93 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.179 -179.701 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.462 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 86.5 t80 -58.54 -43.22 89.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -68.23 -34.41 76.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.347 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.75 -52.53 24.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.895 0.379 . . . . 0.0 111.169 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.462 ' CD2' ' HA ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -78.72 -1.45 34.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.262 179.478 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -53.41 -23.92 11.1 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.74 0.305 . . . . 0.0 111.364 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.0 m -53.86 -28.37 35.57 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.8 0.333 . . . . 0.0 110.917 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.21 -63.85 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.054 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.52 ' CZ2' ' HG3' ' A' ' 29' ' ' GLU . 74.4 m95 -109.47 108.21 18.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -124.53 60.0 22.95 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.86 -172.43 0.83 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.588 2.192 . . . . 0.0 112.373 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.71 146.27 46.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 60.12 109.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.415 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 2.3 t -89.26 158.06 17.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.448 ' CG1' ' CZ ' ' A' ' 68' ' ' TYR . 70.6 t 70.2 -52.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.576 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -42.18 81.91 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.46 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 42.5 mm-40 -63.83 -39.07 93.36 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.203 178.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.585 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 2.0 tm? -55.64 -50.44 70.2 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.979 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.448 ' CZ ' ' CG1' ' A' ' 64' ' ' VAL . 9.5 m-30 -61.46 -28.6 69.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.974 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -64.97 -49.36 70.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.431 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.585 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -75.71 -32.41 60.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.022 0.439 . . . . 0.0 109.98 179.551 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.427 ' HB2' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.93 -27.71 60.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.8 179.673 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.3 -37.51 37.54 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 120.94 0.4 . . . . 0.0 110.591 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -75.81 -28.88 60.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.273 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.1 m -77.73 -49.72 13.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 0.0 110.781 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 tp -82.11 -62.68 1.56 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 61.47 31.42 19.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.802 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -134.54 83.88 2.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -60.23 3.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t 59.48 105.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 tt -163.75 -44.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.18 144.22 28.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 60.72 110.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -63.79 -61.53 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.13 152.79 4.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.541 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -114.41 166.59 11.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.807 0.337 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -151.55 63.83 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.02 103.67 1.51 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -115.54 96.54 5.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -131.41 80.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 t -132.96 179.39 6.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.1 p -86.52 152.82 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 61.26 114.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -100.59 131.46 46.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -139.33 -46.34 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.4 159.62 80.04 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.13 159.22 4.26 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.584 2.189 . . . . 0.0 112.39 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.55 -45.26 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -79.04 -40.64 30.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.13 114.39 4.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.8 m -153.0 156.92 39.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -99.61 37.3 1.62 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.8 ptt? -127.37 160.11 32.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -169.38 -52.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -131.33 164.22 26.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -80.48 124.7 29.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.31 -0.853 . . . . 0.0 110.848 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.84 94.54 0.54 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.569 2.179 . . . . 0.0 112.271 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 156.76 55.62 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.516 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -75.73 105.26 6.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.825 0.345 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 tp -140.66 93.56 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.63 129.73 7.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -162.08 -61.7 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' A' ' 9' ' ' ALA . 42.6 p90 -150.98 -47.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.441 ' N ' ' CD1' ' A' ' 8' ' ' PHE . . . -124.18 143.46 50.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -140.11 31.61 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.981 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -151.72 124.89 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.27 129.49 6.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.3 m -139.71 -46.6 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 111.151 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.14 112.13 0.51 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.71 165.03 17.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.756 0.313 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 m 60.42 87.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 t -154.14 36.12 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.817 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.26 39.78 0.5 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.518 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -138.88 83.47 1.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.6 tp60 -139.87 146.63 39.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.72 108.66 21.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.709 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.401 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 3.9 tpt180 -149.4 31.95 0.73 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.239 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.401 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 71.9 m-85 -156.87 -118.2 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.37 27.76 1.47 Allowed 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.927 0.394 . . . . 0.0 111.205 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -62.11 153.16 30.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.727 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -71.47 54.67 0.22 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 166.3 -26.75 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.047 -0.978 . . . . 0.0 109.782 -178.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.0 -29.19 19.73 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.429 ' HG2' ' CZ2' ' A' ' 58' ' ' TRP . 0.4 OUTLIER -56.77 -48.98 76.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.044 179.85 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -56.53 -31.79 64.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.793 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.416 ' HA ' ' CG1' ' A' ' 34' ' ' ILE . 12.8 mt-10 -70.12 -29.66 66.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.714 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.29 -35.71 61.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.407 ' CD1' HD23 ' A' ' 67' ' ' LEU . 7.2 mt -74.44 -40.85 49.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.753 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.416 ' CG1' ' HA ' ' A' ' 31' ' ' GLU . 2.8 pp -66.99 -35.54 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.261 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -70.58 -34.94 72.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.94 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.6 -30.3 62.28 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.458 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 mt -77.79 -31.83 52.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 111.033 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.16 -10.97 51.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 0.0 112.013 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -100.37 -47.08 5.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.659 0.266 . . . . 0.0 111.522 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -142.4 141.25 32.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.242 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.2 p -157.42 31.55 0.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.826 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.14 73.7 0.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.655 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 45' ' ' GLN . . . -172.44 168.04 41.05 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.44 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.635 ' O ' ' HB2' ' A' ' 45' ' ' GLN . 6.4 mt-30 -62.25 84.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.635 ' HB2' ' O ' ' A' ' 44' ' ' GLN . 8.8 mt-30 80.0 99.34 0.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.796 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.401 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -73.49 -29.25 62.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.051 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.401 ' N ' ' HG2' ' A' ' 46' ' ' ARG . 66.8 m-85 -59.81 -50.04 75.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 0.0 111.1 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -66.11 -39.23 89.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.977 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -57.84 -50.41 73.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.58 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.2 mt -59.05 -42.83 87.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.506 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.493 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 68.1 t80 -56.28 -41.87 76.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.725 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.437 ' O ' ' CG ' ' A' ' 55' ' ' ARG . 3.8 m-85 -68.56 -32.5 72.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.371 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.72 -53.07 9.11 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.369 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.493 ' CD2' ' HA ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -80.3 6.2 12.66 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.88 179.189 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 52' ' ' TYR . 4.7 ppt_? -52.74 -25.53 11.44 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 122.203 -0.31 . . . . 0.0 111.489 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -20.42 53.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 111.051 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.9 t -81.82 -69.32 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.499 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.517 ' CE3' ' HA ' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -78.72 -84.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.714 -179.135 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.455 ' HA ' ' HD3' ' A' ' 60' ' ' PRO . 1.8 t60 -159.89 145.72 11.74 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-O 120.703 0.287 . . . . 0.0 111.52 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 59' ' ' HIS . 3.9 Cg_exo -80.37 -157.27 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.041 2.494 . . . . 0.0 112.147 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 64.0 167.69 0.16 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.435 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 52.4 mtp85 -62.57 117.23 5.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.82 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.426 ' HB ' ' CE2' ' A' ' 51' ' ' TYR . 4.6 m -158.56 28.09 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.076 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.7 t -58.8 -29.14 39.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.634 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.43 -47.27 84.48 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.035 0.445 . . . . 0.0 110.009 179.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.437 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -60.58 -39.07 86.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.837 179.037 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.564 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.4 OUTLIER -56.63 -48.62 77.11 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.272 179.198 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -63.37 -28.25 69.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.834 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -49.4 65.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.377 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.564 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -75.89 -31.01 59.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.075 0.464 . . . . 0.0 109.804 179.238 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 33.5 t-105 -75.08 -31.92 61.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.687 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -79.35 -31.95 43.15 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.917 0.389 . . . . 0.0 110.493 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.81 -29.62 54.28 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.122 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.0 p -81.27 -38.08 27.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.765 0.317 . . . . 0.0 110.825 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.8 -67.69 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 59.82 169.74 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -140.36 -50.65 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.0 175.27 1.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.8 m -63.0 175.29 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.8 mp -127.08 89.46 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.055 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -77.81 174.73 10.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -99.13 32.29 2.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.91 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -135.92 97.68 3.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -126.38 169.11 18.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -64.43 -66.28 0.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.4 mtt85 -149.44 100.6 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.75 126.05 1.98 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.559 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.7 tttt 60.0 32.64 21.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.865 0.364 . . . . 0.0 110.934 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -87.71 115.05 24.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.4 m -129.06 96.62 4.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 29.4 m -156.55 132.62 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.142 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -130.87 32.73 4.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.076 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -139.63 88.45 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.008 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -98.14 30.53 3.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.9 t -123.71 149.52 59.35 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.962 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -51.97 163.48 1.42 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.56 2.173 . . . . 0.0 112.353 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.55 107.35 13.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.04 155.35 37.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.27 106.18 3.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.123 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.27 -50.29 3.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -91.84 141.48 28.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -103.53 165.18 11.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.82 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -161.21 57.94 0.29 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 60.39 167.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 60.28 32.7 20.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.13 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.28 -20.32 37.27 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.575 2.183 . . . . 0.0 112.505 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.62 -44.79 86.12 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.648 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.5 t -131.86 129.59 40.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 110.947 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.94 128.68 6.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.96 146.27 35.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -152.35 154.47 35.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -175.66 153.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.81 132.62 45.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -102.38 157.22 17.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.3 m -123.22 166.68 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.184 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -104.61 -163.53 24.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.458 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.0 p -160.32 -44.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 111.032 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.84 -175.54 41.93 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.563 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.0 m 60.39 82.51 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.808 0.337 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.1 p -123.84 143.5 50.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.5 m 60.47 169.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.25 -132.4 4.98 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.453 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -137.23 158.56 44.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.826 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -156.13 170.4 22.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 tptt 61.69 91.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -135.99 104.14 5.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -141.77 -63.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.026 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -121.77 57.98 1.02 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.101 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.435 ' HB3' ' CB ' ' A' ' 28' ' ' SER . 45.3 t80 -64.55 152.51 41.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.4 p -72.63 52.78 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' A' ' 25' ' ' PHE . . . 166.28 -25.33 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.054 -178.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.435 ' CB ' ' HB3' ' A' ' 25' ' ' PHE . 1.3 m -50.9 -40.54 57.0 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-O 120.968 0.413 . . . . 0.0 110.774 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.431 ' HG2' ' CD2' ' A' ' 58' ' ' TRP . 1.4 pp20? -63.06 -52.32 63.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.629 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.87 -33.63 70.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.589 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.404 ' HA ' HG23 ' A' ' 34' ' ' ILE . 39.7 mt-10 -70.34 -30.55 67.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.416 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.5 -37.69 74.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.566 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 mt -66.67 -48.72 79.34 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.618 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.404 HG23 ' HA ' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -59.0 -38.23 72.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.629 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -69.93 -35.3 74.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.109 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.65 -36.82 53.14 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.145 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.406 ' CD2' ' CE2' ' A' ' 47' ' ' PHE . 5.6 mp -73.16 -27.1 61.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.705 0.288 . . . . 0.0 110.849 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.59 -21.54 32.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.406 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.03 -56.34 2.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.974 0.416 . . . . 0.0 111.157 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -84.73 117.06 23.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.904 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -172.05 84.8 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.13 32.07 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.09 -175.0 26.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.555 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.52 -46.58 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.83 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -116.36 71.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.788 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -76.41 -24.1 54.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.103 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.406 ' CE2' ' CD2' ' A' ' 37' ' ' LEU . 95.6 m-85 -53.66 -46.91 70.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.334 . . . . 0.0 111.525 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -70.29 -46.68 63.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.326 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.59 -50.53 72.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.994 0.426 . . . . 0.0 110.599 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -37.52 75.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.338 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.485 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 49.0 t80 -54.49 -45.84 73.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.65 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -68.21 -34.02 75.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.768 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.8 -52.14 47.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.49 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.485 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -78.28 -2.36 37.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.57 -179.923 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.18 84.98 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.735 0.302 . . . . 0.0 111.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER 176.69 38.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.823 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.3 m -136.08 -46.73 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.431 ' CD2' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -112.91 177.53 4.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -120.59 63.18 10.23 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.03 152.48 57.09 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.628 2.218 . . . . 0.0 112.271 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.67 -41.2 18.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.07 138.88 54.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.413 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 1.7 t -89.0 155.22 19.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.941 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.413 ' HB ' ' O ' ' A' ' 63' ' ' THR . 81.1 t 70.42 -52.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.623 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -43.0 98.14 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.454 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 18.7 mm-40 -64.97 -39.06 92.91 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.065 178.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.525 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 2.4 tm? -55.36 -49.18 72.93 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.034 178.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -63.82 -28.37 69.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.986 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -67.09 -47.71 70.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.006 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.525 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -77.31 -30.96 54.33 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 178.856 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -72.74 -33.79 66.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.664 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 -75.81 -43.37 46.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.013 0.435 . . . . 0.0 110.032 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.95 -28.91 74.05 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.971 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.6 p -77.11 -38.69 51.69 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.881 0.372 . . . . 0.0 110.591 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 mp -153.83 78.32 1.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 77' ' ' TYR . 14.2 ttm180 -76.95 -72.14 0.36 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.41 ' CG ' ' O ' ' A' ' 76' ' ' ARG . 53.9 p90 43.69 31.05 0.42 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.452 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -93.33 81.78 4.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.0 m -117.65 -39.12 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.6 mp -69.47 -51.54 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.12 150.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -148.66 -47.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.11 148.04 40.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -123.55 -107.29 1.81 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.516 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -94.89 160.9 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.755 0.312 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.03 31.14 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.78 -163.59 10.76 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.508 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.54 -41.17 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.859 0.361 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -155.56 117.83 4.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -148.24 -68.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.3 m -146.21 156.03 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -119.69 165.88 13.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.35 30.93 6.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.1 tpp85 -61.56 -64.24 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.403 ' CB ' ' HD3' ' A' ' 96' ' ' PRO . 0.6 OUTLIER -89.13 -53.15 0.34 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.403 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 53.2 Cg_exo -54.63 152.68 26.56 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.517 2.145 . . . . 0.0 112.365 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -177.23 103.66 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.801 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.83 166.25 17.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -125.64 31.82 5.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.2 t -125.74 -44.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.08 165.43 29.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.81 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.3 ttt -68.94 150.95 47.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.49 134.02 38.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -147.36 -46.47 0.17 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.8 m120 63.3 170.26 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.969 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.919 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.49 160.53 49.19 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.578 2.185 . . . . 0.0 112.279 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.88 131.47 3.94 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.563 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.1 81.16 0.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 pp -131.0 179.89 5.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.84 94.6 3.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -148.58 160.92 42.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -140.52 137.09 33.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.76 86.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.061 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -127.66 68.28 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.8 t -140.71 33.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.08 106.49 3.07 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.7 p -74.5 127.75 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 0.0 111.088 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.94 83.38 0.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.04 -54.99 7.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.694 0.283 . . . . 0.0 110.867 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.08 -179.63 2.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -149.58 -62.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.814 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -145.75 -59.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -158.34 167.8 28.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -163.09 153.68 16.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.766 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.04 -58.72 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 115.2 4.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -177.43 96.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.15 41.13 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.64 152.61 14.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.851 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 p -72.83 52.9 0.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 165.19 -25.45 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.066 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.2 -34.16 30.65 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.834 0.35 . . . . 0.0 110.754 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -58.76 -47.01 86.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.796 179.761 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.43 -45.73 80.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.786 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' O ' HG13 ' A' ' 34' ' ' ILE . 1.9 tm-20 -61.23 -29.51 69.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.56 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.75 -30.03 61.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.622 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.458 ' CD1' HD23 ' A' ' 67' ' ' LEU . 1.4 mt -72.43 -46.54 55.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.653 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 31' ' ' GLU . 2.8 pp -63.24 -39.92 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.257 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -33.65 76.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.893 178.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.455 ' HA2' ' CZ ' ' A' ' 40' ' ' PHE . . . -73.64 -41.7 42.4 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.793 -0.717 . . . . 0.0 111.889 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.424 HD11 ' CZ2' ' A' ' 71' ' ' TRP . 0.2 OUTLIER -68.68 -22.94 64.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.929 0.395 . . . . 0.0 110.673 179.558 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.72 -28.84 36.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.61 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -99.0 -63.14 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 111.784 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.455 ' CZ ' ' HA2' ' A' ' 36' ' ' GLY . 1.7 p90 -104.17 125.31 50.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.215 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.406 ' HB ' ' HG2' ' A' ' 46' ' ' ARG . 1.4 p -162.03 85.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.933 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -46.83 -40.15 13.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.286 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.22 -36.62 3.64 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.737 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -26.72 8.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.872 0.367 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 46' ' ' ARG . 0.3 OUTLIER -157.75 -66.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.64 179.856 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 45' ' ' GLN . 4.5 mtp85 87.86 -38.36 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.407 ' O ' HG21 ' A' ' 50' ' ' ILE . 61.6 m-85 -75.65 -50.45 15.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.082 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -70.72 -45.55 64.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -50.71 72.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.007 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.425 HG12 ' CE2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -61.16 -37.73 78.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.044 0.449 . . . . 0.0 110.243 179.474 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.51 ' CD1' HD21 ' A' ' 67' ' ' LEU . 17.2 t80 -55.83 -49.41 73.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.442 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -68.28 -24.44 64.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.05 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.07 -52.39 24.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.774 0.321 . . . . 0.0 111.552 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.495 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 1.7 p90 -78.73 0.46 26.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.892 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.61 -22.81 9.34 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.55 0.214 . . . . 0.0 111.463 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 t -69.24 -34.42 74.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.675 0.274 . . . . 0.0 111.317 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.9 p -84.34 -24.84 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.47 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -107.62 165.97 11.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.965 0.412 . . . . 0.0 111.121 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -64.39 114.65 14.97 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.142 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.51 123.65 13.8 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.489 2.126 . . . . 0.0 112.273 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 179.84 136.81 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.02 104.38 0.3 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.11 41.59 0.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.062 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.27 -34.7 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.965 0.412 . . . . 0.0 110.627 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.2 m -57.77 -42.68 84.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.173 0.511 . . . . 0.0 109.802 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 69' ' ' ASP . 16.0 tt0 -61.14 -32.17 71.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.037 178.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.718 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -62.69 -51.42 67.26 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.074 179.732 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -61.84 -27.9 69.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.059 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 66' ' ' GLN . 6.8 m-20 -67.28 -49.57 63.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.828 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.718 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.1 p-80 -80.5 -18.41 48.64 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.04 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.449 ' HB2' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -85.58 -32.88 21.87 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 178.181 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.41 -32.24 54.6 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.29 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.46 -36.23 17.63 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.211 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.0 t -69.86 -45.53 67.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.731 0.3 . . . . 0.0 110.759 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -30.06 71.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.6 mmm-85 -108.92 -177.37 3.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -142.56 171.42 14.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.22 165.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.5 m -139.27 174.83 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.3 pt -118.4 147.75 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.33 118.41 29.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.61 169.55 17.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.29 146.11 28.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.964 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.9 128.06 0.82 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -85.72 -74.45 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.337 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -151.99 28.74 0.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 57.38 -155.4 18.18 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.548 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.1 179.65 3.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -64.36 145.44 56.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.4 m -96.81 174.32 6.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.5 t 60.66 100.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -98.29 159.67 14.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -96.37 84.38 3.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.095 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.37 -47.89 3.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 86.9 p -74.74 111.27 12.43 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.71 174.11 9.93 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.426 2.084 . . . . 0.0 112.325 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -139.14 120.47 14.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.0 pttt -149.79 -47.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -115.82 108.77 16.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.048 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.27 148.12 44.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 67.04 -73.63 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 13.0 ptt? -136.68 170.39 16.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -141.99 -61.43 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -60.46 143.64 52.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -89.72 -179.79 5.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.958 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 112.588 -0.205 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.34 147.11 58.43 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.606 2.204 . . . . 0.0 112.307 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.99 179.95 37.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.508 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.9 m -116.34 -37.91 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 110.939 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tp 62.27 31.63 17.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.09 85.62 2.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 61.05 -179.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -104.24 -49.97 3.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.04 -179.25 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.151 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -164.95 -65.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.979 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 m -133.0 148.03 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.07 169.47 25.09 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.1 m -151.87 -46.38 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 0.0 111.09 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.55 -28.71 14.61 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.8 t -162.61 126.37 2.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.816 0.341 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.2 m -98.65 34.38 2.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.6 p -149.49 143.8 25.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -135.86 54.49 0.74 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.445 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.35 127.24 52.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.67 85.18 1.69 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -162.61 31.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -123.2 38.62 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.785 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -102.01 79.54 1.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.799 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.9 tttt 57.8 35.4 25.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -58.93 154.8 14.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.982 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 2.3 m -72.37 54.5 0.32 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.311 0.577 . . . . 0.0 109.52 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 26' ' ' SER . . . 163.15 -24.57 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.007 -178.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 t -56.35 -23.11 35.26 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.087 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.01 -50.18 67.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.29 -31.8 64.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.685 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.428 ' HA ' HG12 ' A' ' 34' ' ' ILE . 35.3 mt-10 -70.45 -32.47 70.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.456 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.412 ' HB1' ' CD1' ' A' ' 54' ' ' TYR . . . -72.7 -32.7 65.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.178 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.435 HG12 ' CE2' ' A' ' 54' ' ' TYR . 3.4 mt -73.79 -40.06 53.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.576 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.428 HG12 ' HA ' ' A' ' 31' ' ' GLU . 31.9 pt -64.32 -41.07 91.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.634 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.403 ' N ' HG13 ' A' ' 34' ' ' ILE . 3.8 mtpt -66.34 -43.96 84.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.131 0.491 . . . . 0.0 109.76 179.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.408 ' HA3' ' CD1' ' A' ' 50' ' ' ILE . . . -62.72 -48.65 79.63 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.576 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -35.4 64.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.787 0.327 . . . . 0.0 110.592 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.18 -30.23 70.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.976 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.409 ' O ' ' CD1' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -116.58 18.85 14.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.512 -179.835 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.409 ' CD1' ' O ' ' A' ' 39' ' ' ARG . 44.1 m-85 -149.23 106.18 3.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.908 0.385 . . . . 0.0 110.846 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 p -163.3 76.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.751 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.1 mmmt -125.38 43.38 3.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.014 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.9 -174.08 43.46 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.479 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -98.7 30.5 3.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -151.47 39.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.732 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.403 ' O ' HG21 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.59 -28.86 65.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.239 -179.877 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.42 ' O ' HG21 ' A' ' 50' ' ' ILE . 84.3 m-85 -62.01 -50.46 71.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.99 0.424 . . . . 0.0 111.196 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.59 -46.2 63.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.812 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -59.4 -50.43 73.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.96 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.457 HD11 HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -60.75 -38.07 77.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.086 0.47 . . . . 0.0 110.455 179.602 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.485 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 17.6 t80 -54.17 -50.94 65.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.006 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -68.18 -29.09 67.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.129 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.86 -52.58 28.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 0.0 111.088 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.485 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -79.35 6.14 10.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.812 179.497 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -52.94 113.12 0.99 Allowed 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 121.177 0.513 . . . . 0.0 111.097 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 169.72 -36.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.051 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.3 m -99.19 15.47 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.991 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.407 ' CE3' ' HA ' ' A' ' 58' ' ' TRP . 0.6 OUTLIER 179.06 135.74 0.09 Allowed 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.49 -179.631 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -168.11 76.5 0.87 Allowed Pre-proline 0 C--N 1.331 -0.221 0 CA-C-O 120.703 0.287 . . . . 0.0 111.376 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -83.05 -160.72 0.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.754 2.303 . . . . 0.0 112.24 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.81 -81.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.785 0.326 . . . . 0.0 111.697 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 29.4 mmt85 -60.44 -24.83 65.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.376 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.492 ' OG1' ' N ' ' A' ' 64' ' ' VAL . 14.6 p 61.13 -85.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.789 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.492 ' N ' ' OG1' ' A' ' 63' ' ' THR . 4.8 t -49.29 -33.34 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.754 0.312 . . . . 0.0 110.76 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 t -67.62 -39.77 84.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.062 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -65.53 -32.54 74.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.094 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.617 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -65.09 -51.03 63.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.239 179.7 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -61.71 -28.33 69.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.192 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -71.55 -49.81 37.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.223 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.617 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.2 p-80 -81.04 -15.28 56.55 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.239 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.508 ' HB2' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -86.75 -33.33 20.0 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.918 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.78 -31.84 52.14 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 121.032 0.444 . . . . 0.0 110.091 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.02 -40.56 16.35 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.173 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.8 m -67.43 -42.2 83.56 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 120.811 0.339 . . . . 0.0 110.718 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.42 HD23 ' CZ3' ' A' ' 71' ' ' TRP . 0.4 OUTLIER -57.34 -36.98 71.83 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.924 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -156.86 138.34 13.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -156.78 -49.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.92 123.87 38.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.3 114.6 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.163 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.5 pt -115.2 138.82 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.038 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -98.65 -31.47 11.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -103.9 164.92 11.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -108.96 162.16 14.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 154.86 113.54 0.48 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -129.95 108.05 9.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -168.37 140.09 2.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.982 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -176.93 166.87 37.88 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.532 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -170.01 141.16 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.787 0.327 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -124.47 -43.84 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -108.05 -46.95 3.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.3 p -174.43 -40.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 64.95 -75.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.256 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 61.36 97.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.061 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.96 -19.64 12.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.186 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.7 m 63.79 79.26 0.26 Allowed Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.7 -166.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.585 2.19 . . . . 0.0 112.256 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -149.34 128.81 13.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -160.32 51.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -161.68 135.37 6.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 t -80.91 109.51 15.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -132.02 100.15 4.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.8 mtt -152.41 140.92 20.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -109.1 -28.11 9.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 34.0 m120 61.67 102.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.003 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -150.83 167.69 26.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.947 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.03 -41.69 62.88 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.557 2.171 . . . . 0.0 112.313 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -128.68 167.68 20.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.5 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -148.22 156.53 42.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.359 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.54 175.63 5.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 p -101.89 173.17 6.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.35 31.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -125.09 30.16 5.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -176.03 37.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.076 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -134.87 -51.94 0.79 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.95 -30.79 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.058 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.63 107.08 0.98 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.551 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.2 m -126.28 171.7 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 111.174 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.35 166.54 2.23 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.1 m -88.57 -58.61 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.7 m -113.87 -36.39 4.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.5 m -59.65 134.56 57.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -163.11 149.34 16.89 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.409 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -112.4 177.69 4.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.777 0.322 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.92 -176.88 5.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -173.18 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 60.99 169.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 2.0 p90 -143.78 111.56 6.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.824 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -85.19 -87.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.451 ' O ' ' N ' ' A' ' 27' ' ' ALA . 4.9 m-85 60.46 139.86 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.677 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.17 68.49 0.13 Allowed 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' PHE . . . 79.33 -1.96 2.21 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.964 -178.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t 79.08 -29.8 0.15 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.47 ' O ' HG13 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -83.13 -43.79 15.83 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.246 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -64.16 -30.31 71.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.276 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' CB ' ' CD2' ' A' ' 25' ' ' PHE . 2.3 mm-40 -70.52 -29.58 66.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.524 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.99 -37.63 58.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.778 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 29' ' ' GLU . 2.1 mt -72.16 -39.92 65.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.81 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 31' ' ' GLU . 2.8 pp -67.01 -39.08 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.516 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' N ' ' CD1' ' A' ' 34' ' ' ILE . 30.8 tttt -73.69 -39.53 64.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.161 0.505 . . . . 0.0 109.777 178.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.413 ' HA3' ' CG1' ' A' ' 50' ' ' ILE . . . -66.55 -44.24 90.43 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.347 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.407 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -69.54 -31.77 70.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.342 . . . . 0.0 110.559 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.52 -26.16 67.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.169 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.53 -30.52 8.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.563 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -110.39 132.86 53.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.455 ' HA ' ' HB3' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -168.93 -39.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.5 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.4 66.7 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.0 0.428 . . . . 0.0 110.761 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.19 163.22 35.88 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.616 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.434 ' O ' ' CB ' ' A' ' 45' ' ' GLN . 24.8 tp60 -63.99 81.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.731 0.301 . . . . 0.0 110.319 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.434 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER 80.67 105.93 0.07 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.904 -179.704 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.455 ' HB3' ' HA ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -90.28 -24.46 20.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.33 -179.904 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.407 ' CE1' HD21 ' A' ' 37' ' ' LEU . 6.5 m-85 -65.97 -48.21 72.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.19 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -70.14 -48.0 59.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.076 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -60.45 -50.23 74.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.268 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.475 HD11 HG21 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -59.7 -40.51 82.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.954 0.407 . . . . 0.0 111.11 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.461 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 40.3 t80 -60.18 -38.25 82.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.793 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -68.36 -39.19 81.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.63 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.59 -53.1 38.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.862 0.363 . . . . 0.0 111.077 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.498 ' O ' ' CD1' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -79.78 4.84 15.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.665 179.475 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -52.86 -23.96 8.1 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.591 0.234 . . . . 0.0 111.432 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.44 -24.34 30.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.712 0.292 . . . . 0.0 110.884 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 58' ' ' TRP . 79.8 t -102.57 158.07 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.03 0.443 . . . . 0.0 111.089 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.433 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 10.1 t90 67.71 -71.07 0.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.385 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -166.16 174.87 2.55 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.008 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -52.21 -174.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.597 2.198 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.437 ' HA ' ' CE2' ' A' ' 51' ' ' TYR . . . -113.45 48.24 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.317 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -120.71 47.27 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.5 t -165.72 48.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 95.3 t -51.23 -30.96 10.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.973 0.416 . . . . 0.0 110.0 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.6 m -59.66 -43.6 93.89 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.436 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 12.5 mt-30 -60.09 -36.95 78.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.418 178.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.602 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -55.03 -50.09 69.93 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.106 178.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.409 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 5.1 m-30 -62.18 -29.54 70.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.704 178.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.37 -49.86 69.97 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.487 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.602 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.68 -31.91 62.04 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.064 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -68.0 -29.1 68.04 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.128 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 68' ' ' TYR . 0.2 OUTLIER -79.28 -36.62 39.49 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.063 0.458 . . . . 0.0 109.9 179.032 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.81 -28.23 73.25 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.245 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.1 p -82.66 -45.46 14.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.932 0.396 . . . . 0.0 110.905 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.09 -67.18 0.86 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 67.48 -74.13 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -102.72 152.91 20.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.917 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.3 mtmm -79.81 121.91 25.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.6 p -102.48 114.52 42.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.064 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.9 mp -71.34 133.9 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.203 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -81.28 -36.56 29.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.977 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.9 pm0 -84.09 166.94 17.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -76.0 164.89 25.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -165.71 -168.41 27.84 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -103.62 93.86 5.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.893 0.378 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.73 -35.32 17.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 156.55 97.96 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.59 92.51 6.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.75 0.31 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -112.59 -74.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.36 -68.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.6 t -102.64 122.4 54.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.46 -64.43 0.86 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -165.83 -69.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.088 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 59.76 42.77 16.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.64 64.08 0.68 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.88 -171.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.644 2.229 . . . . 0.0 112.308 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -136.0 100.1 4.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.9 tttt 60.94 87.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -144.32 31.37 1.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.7 m -107.55 31.58 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -132.42 135.61 46.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.4 ptp -161.2 135.46 7.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 60.84 84.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -118.2 132.97 56.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -64.01 -34.73 78.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.939 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.686 0.279 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 t -61.73 -21.28 64.37 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-O 120.741 0.305 . . . . 0.0 111.197 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.41 ' O ' HG13 ' A' ' 33' ' ' ILE . 1.1 tt0 -55.57 -52.44 63.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -56.48 -32.32 64.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.419 ' HA ' HG12 ' A' ' 34' ' ' ILE . 18.2 mt-10 -69.99 -32.45 70.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.676 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.7 -35.41 70.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.075 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 29' ' ' GLU . 3.5 mt -70.79 -41.37 77.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.902 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.419 HG12 ' HA ' ' A' ' 31' ' ' GLU . 35.3 pt -65.23 -37.98 81.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.558 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.406 ' N ' HG13 ' A' ' 34' ' ' ILE . 15.4 tttt -71.66 -34.62 69.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.118 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.537 ' HA3' HD11 ' A' ' 50' ' ' ILE . . . -73.63 -39.74 48.21 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.245 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.722 HD12 HG21 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -74.8 -24.45 58.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.719 0.295 . . . . 0.0 110.989 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.03 -15.91 37.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.571 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -102.79 -51.28 3.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.78 0.324 . . . . 0.0 111.555 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.487 ' O ' HG23 ' A' ' 41' ' ' THR . 3.0 p90 -130.18 136.22 49.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 40' ' ' PHE . 22.8 p -159.0 33.37 0.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -80.79 85.38 6.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 170.35 154.61 9.59 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.565 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.75 -21.12 60.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.742 0.306 . . . . 0.0 111.183 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -142.4 85.1 1.89 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.635 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -24.23 61.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.493 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.512 ' CE1' HD21 ' A' ' 37' ' ' LEU . 26.4 m-85 -63.74 -50.41 69.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.786 0.327 . . . . 0.0 111.654 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -40.6 74.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.8 0.334 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -65.87 -49.53 67.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.793 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.814 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.62 -38.68 72.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.736 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.865 ' CD1' HD23 ' A' ' 67' ' ' LEU . 31.2 t80 -60.48 -46.79 88.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.624 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.461 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 28.0 m-85 -68.35 -23.49 64.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.51 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.82 -52.89 9.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 111.204 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.5 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -79.44 -0.61 33.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.865 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -53.27 105.7 0.14 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-O 121.053 0.454 . . . . 0.0 111.037 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 168.83 -33.4 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.732 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.2 m -74.16 -24.88 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.487 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.18 -78.29 0.58 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.25 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.108 -179.72 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.662 HG22 ' HB2' ' A' ' 66' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.696 0.284 . . . . 0.0 110.915 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 85.0 t -56.03 -33.47 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.71 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.43 -50.44 73.58 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.132 0.492 . . . . 0.0 109.919 179.176 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.662 ' HB2' HG22 ' A' ' 63' ' ' THR . 4.2 mm100 -58.23 -37.54 75.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.777 178.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.865 HD23 ' CD1' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -56.61 -50.2 72.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.343 179.235 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -61.53 -28.75 69.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.085 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.39 -49.51 66.58 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.492 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.549 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -75.55 -32.34 60.38 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.312 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.408 ' HB2' ' O ' ' A' ' 67' ' ' LEU . 3.6 t-105 -72.35 -28.32 62.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.608 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -78.12 -39.96 39.65 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.963 0.411 . . . . 0.0 110.58 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -75.88 -27.69 62.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.441 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.3 m -78.56 -45.68 21.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.34 . . . . 0.0 110.863 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 mm? . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.544 0.211 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.1 m -49.45 -28.82 5.69 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.842 0.353 . . . . 0.0 110.841 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' HG3' ' CD1' ' A' ' 58' ' ' TRP . 1.4 tm-20 -58.14 -51.26 70.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.795 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -56.37 -37.23 69.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.899 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.68 -34.54 75.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.013 0.435 . . . . 0.0 110.332 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.43 -35.01 70.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.368 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.608 HD13 ' CD2' ' A' ' 67' ' ' LEU . 3.6 mt -68.11 -45.46 83.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.773 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 35' ' ' LYS . 29.0 pt -61.6 -39.75 84.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.659 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.4 ' N ' HG13 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -69.37 -41.33 76.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.115 0.483 . . . . 0.0 109.805 179.119 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.544 ' HA3' HD11 ' A' ' 50' ' ' ILE . . . -63.21 -46.23 93.53 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.81 -0.709 . . . . 0.0 111.896 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.493 HD11 HG22 ' A' ' 33' ' ' ILE . 6.3 mt -61.77 -36.5 81.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.946 0.403 . . . . 0.0 110.786 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.64 -34.24 72.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.173 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -100.99 -22.42 14.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.465 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.731 ' O ' HG23 ' A' ' 41' ' ' THR . 6.9 m-85 -108.0 125.41 51.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.773 0.32 . . . . 0.0 111.06 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -171.89 40.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.822 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.99 51.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.81 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -170.93 178.03 43.61 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.547 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -77.28 -30.79 54.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -126.95 75.87 1.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.561 ' O ' HG22 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -59.12 -26.4 64.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.463 ' CE1' ' NE1' ' A' ' 71' ' ' TRP . 27.8 m-85 -66.24 -44.68 83.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.817 0.341 . . . . 0.0 111.144 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -70.33 -48.84 54.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.766 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -50.56 73.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.845 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -62.08 -37.69 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.647 179.714 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.75 ' HH ' ' N ' ' A' ' 63' ' ' THR . 18.0 t80 -54.08 -51.99 62.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.865 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -68.33 -29.13 67.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.198 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.64 -52.05 35.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.546 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.445 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.7 OUTLIER -78.61 -0.61 30.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.611 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -53.76 91.56 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.109 0 CA-C-O 120.936 0.398 . . . . 0.0 111.012 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.4 p -174.08 -41.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.648 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 58' ' ' TRP . 27.2 m -65.96 -44.82 92.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.997 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.604 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -89.24 -161.22 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.555 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.332 -0.183 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.474 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.75 ' N ' ' HH ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.756 0.312 . . . . 0.0 111.338 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.8 t -57.77 -37.45 59.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.129 0.49 . . . . 0.0 109.908 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -41.81 79.12 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.43 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.4 OUTLIER -60.98 -37.54 82.82 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.34 178.515 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.608 ' CD2' HD13 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -54.33 -50.07 68.24 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.015 179.087 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -63.33 -28.44 70.01 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.739 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -49.63 67.71 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.291 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.572 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -75.0 -33.01 61.78 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.165 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.463 ' NE1' ' CE1' ' A' ' 47' ' ' PHE . 28.6 t-105 -71.25 -30.62 66.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.409 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -72.32 -48.0 45.47 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.119 0.485 . . . . 0.0 110.281 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.16 -32.54 84.48 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.094 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 57.9 m -73.66 -36.64 65.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.616 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.3 -31.65 14.92 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-O 120.808 0.337 . . . . 0.0 110.665 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.436 ' HB3' ' CD2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -56.28 -51.41 68.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.909 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -56.55 -35.37 68.05 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.979 0.418 . . . . 0.0 110.442 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.484 ' O ' HG13 ' A' ' 34' ' ' ILE . 2.9 mm-40 -68.42 -29.32 67.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.436 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.37 -32.82 62.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.811 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.871 HD13 ' CD2' ' A' ' 67' ' ' LEU . 3.7 mt -72.06 -44.81 65.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.702 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 31' ' ' GLU . 0.9 OUTLIER -64.71 -39.02 84.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.299 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.441 ' HG3' HD12 ' A' ' 34' ' ' ILE . 5.7 mtpm? -73.33 -39.01 65.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.114 0.483 . . . . 0.0 109.751 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.487 ' HA3' HD11 ' A' ' 50' ' ' ILE . . . -64.43 -45.22 93.86 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.687 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.914 HD12 HG21 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -61.52 -42.26 98.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.568 179.562 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.08 -17.52 64.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.55 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -124.53 34.88 4.92 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -137.69 -91.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.889 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.798 HG22 ' HD3' ' A' ' 46' ' ' ARG . 16.7 p 43.5 70.1 0.34 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.887 0.375 . . . . 0.0 111.5 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -118.27 37.4 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.81 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 158.84 -163.25 33.08 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.77 32.17 2.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.764 0.316 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.2 50.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.798 ' HD3' HG22 ' A' ' 41' ' ' THR . 0.1 OUTLIER -55.86 -27.81 53.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.548 ' HB3' HD12 ' A' ' 67' ' ' LEU . 31.3 m-85 -60.32 -48.15 82.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.31 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.19 -49.02 54.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.945 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -50.42 73.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.664 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.914 HG21 HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -59.05 -37.56 68.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.412 179.482 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.581 ' HD2' HD23 ' A' ' 67' ' ' LEU . 9.6 t80 -56.46 -44.45 80.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.601 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -67.3 -32.04 72.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.608 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.89 -52.24 45.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.385 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.714 ' O ' HG12 ' A' ' 57' ' ' VAL . 0.7 OUTLIER -78.67 -0.26 29.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.447 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -53.68 -23.11 10.45 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.421 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.55 -37.73 71.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.643 0.259 . . . . 0.0 111.424 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.714 HG12 ' O ' ' A' ' 54' ' ' TYR . 13.5 p -80.68 -18.87 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.721 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.436 ' CD2' ' HB3' ' A' ' 29' ' ' GLU . 1.8 t-105 -130.53 -164.82 1.47 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.869 0.366 . . . . 0.0 111.341 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 50.2 m80 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.062 -179.895 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.569 HG22 ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.842 0.353 . . . . 0.0 111.253 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 83.5 t -56.46 -34.31 40.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.965 0.412 . . . . 0.0 110.385 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 79.0 p -58.2 -43.83 87.8 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.569 ' HB2' HG22 ' A' ' 63' ' ' THR . 0.5 OUTLIER -61.14 -35.94 78.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.704 178.658 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.871 ' CD2' HD13 ' A' ' 33' ' ' ILE . 2.2 tm? -55.58 -50.53 69.84 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.058 179.203 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -62.94 -29.16 70.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.781 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -49.33 67.97 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.271 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.597 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.3 -36.2 63.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.165 0.507 . . . . 0.0 109.841 179.349 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.443 ' HE1' HD13 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -70.92 -28.74 64.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.702 179.758 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -75.43 -41.27 56.35 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.952 0.406 . . . . 0.0 110.155 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.46 -37.04 93.93 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.952 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.6 p -74.05 -35.84 64.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.657 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 tp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.043 179.868 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.76 0.315 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.7 m -54.94 -32.29 61.17 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.141 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.482 ' O ' HG13 ' A' ' 33' ' ' ILE . 1.6 tt0 -60.16 -53.07 62.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.389 . . . . 0.0 110.526 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.51 -43.11 95.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.499 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.769 ' HG2' HD11 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -63.21 -29.75 71.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.478 179.587 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.04 -42.63 72.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.046 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.623 HD13 ' CD2' ' A' ' 67' ' ' LEU . 3.6 mt -64.63 -41.27 91.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.129 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.769 HD11 ' HG2' ' A' ' 31' ' ' GLU . 37.2 pt -65.67 -40.95 89.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.781 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.441 ' N ' HG13 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -66.84 -39.83 87.75 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.207 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.61 -49.65 67.66 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.485 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.688 HD22 HG21 ' A' ' 50' ' ' ILE . 1.2 mm? -55.29 -37.16 66.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 110.517 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.56 -19.43 62.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.324 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.402 ' O ' ' CD2' ' A' ' 40' ' ' PHE . 4.1 mtt180 -126.23 25.54 6.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.541 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.431 ' O ' HG23 ' A' ' 41' ' ' THR . 38.0 m-85 -162.53 91.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.817 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 40' ' ' PHE . 4.8 p -156.63 73.52 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -115.86 30.81 7.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 179.94 -157.08 19.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.547 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.03 -26.14 15.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 111.018 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.99 42.5 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.414 ' HG3' HD11 ' A' ' 37' ' ' LEU . 1.4 ptt180 -65.25 -42.45 93.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.444 ' O ' HG22 ' A' ' 50' ' ' ILE . 37.7 m-85 -63.11 -46.76 85.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.178 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.405 ' HG3' ' CG2' ' A' ' 64' ' ' VAL . 5.3 tt0 -70.17 -46.57 64.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.059 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -57.88 -50.36 73.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.907 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.773 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -60.97 -38.28 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.634 179.742 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.761 ' OH ' HG22 ' A' ' 63' ' ' THR . 31.1 t80 -60.57 -41.35 94.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.634 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -68.37 -34.83 76.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.315 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.74 -52.74 18.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.96 0.409 . . . . 0.0 110.928 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.466 ' CD2' ' HA ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -79.38 1.77 24.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.575 179.423 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.23 -25.65 14.92 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-O 120.739 0.304 . . . . 0.0 111.24 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 86.6 p -56.99 -25.25 58.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.731 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 43.5 t -80.84 -57.69 4.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.046 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.482 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -57.77 -166.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.967 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.532 0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.371 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.761 HG22 ' OH ' ' A' ' 51' ' ' TYR . 6.6 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.885 0.374 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.405 ' CG2' ' HG3' ' A' ' 48' ' ' GLN . 59.7 t -55.18 -35.89 37.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.512 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 m -57.06 -45.17 83.45 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.349 0.595 . . . . 0.0 109.551 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.438 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 58.6 mm-40 -60.19 -35.35 75.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.521 178.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.623 ' CD2' HD13 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -55.38 -50.14 70.47 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.175 179.063 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.11 -28.43 70.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.604 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -49.41 68.01 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.654 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.584 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.77 -31.87 61.89 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.132 179.631 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -76.19 -30.62 58.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -38.73 56.88 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.981 0.42 . . . . 0.0 110.467 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -72.49 -34.13 60.55 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.15 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.2 p -71.57 -42.43 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.668 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.225 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.614 0.245 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.38 -29.09 63.77 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.837 0.351 . . . . 0.0 111.116 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' O ' HG13 ' A' ' 33' ' ' ILE . 2.5 pp20? -58.89 -49.5 77.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -56.29 -30.07 62.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.768 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.44 ' HA ' HG12 ' A' ' 34' ' ' ILE . 59.6 tt0 -71.89 -32.31 67.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.076 0.465 . . . . 0.0 110.476 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.58 -33.38 66.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.069 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 29' ' ' GLU . 6.4 mt -73.47 -41.26 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.946 0.403 . . . . 0.0 110.607 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.44 HG12 ' HA ' ' A' ' 31' ' ' GLU . 40.8 pt -64.6 -38.22 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.575 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.423 ' N ' HG13 ' A' ' 34' ' ' ILE . 14.8 tttt -71.73 -38.39 70.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.074 0.464 . . . . 0.0 110.023 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.407 ' HA3' ' CG1' ' A' ' 50' ' ' ILE . . . -70.24 -38.51 71.84 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.896 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.493 HD21 ' HA ' ' A' ' 47' ' ' PHE . 40.9 mt -68.28 -33.62 74.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.902 0.382 . . . . 0.0 110.79 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.94 -23.94 60.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.39 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.03 -28.13 12.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.505 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -108.52 118.09 35.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.828 0.347 . . . . 0.0 111.068 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.446 ' HA ' ' HG2' ' A' ' 46' ' ' ARG . 0.6 OUTLIER -158.25 64.89 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.996 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.64 29.5 7.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.06 -151.11 5.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.53 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -112.65 -30.36 7.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.716 0.293 . . . . 0.0 111.06 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -115.37 70.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.919 0.39 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.446 ' HG2' ' HA ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -58.51 -28.37 65.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.493 ' HA ' HD21 ' A' ' 37' ' ' LEU . 25.5 m-85 -60.61 -47.31 86.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.906 0.384 . . . . 0.0 111.249 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -69.97 -48.46 58.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.801 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -57.84 -50.24 73.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.834 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -59.7 -38.51 76.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.715 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.865 ' CD1' HD23 ' A' ' 67' ' ' LEU . 36.2 t80 -60.22 -37.31 79.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.676 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -65.52 -50.75 64.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.746 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.26 -45.49 91.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.909 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.493 ' HB3' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -78.02 -4.35 46.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.07 179.705 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -54.83 91.52 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.878 0.37 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 p 177.29 -37.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.591 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.475 ' HB ' ' CE2' ' A' ' 54' ' ' TYR . 53.4 t -66.59 -67.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.091 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.431 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -113.62 120.66 41.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.231 -179.551 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.539 HG22 ' CG ' ' A' ' 66' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.77 0.319 . . . . 0.0 111.029 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.6 p -54.12 -32.88 23.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.991 0.424 . . . . 0.0 110.516 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.7 m -58.55 -39.98 81.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.015 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.539 ' CG ' HG22 ' A' ' 63' ' ' THR . 25.8 mm-40 -63.04 -32.74 74.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.972 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.865 HD23 ' CD1' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -62.6 -50.56 70.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.964 179.489 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -62.41 -27.94 69.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.04 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -68.84 -50.22 51.84 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.492 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.667 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.1 p-80 -82.42 -16.08 50.29 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.416 -0.513 . . . . 0.0 110.135 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.435 ' CZ2' ' CE1' ' A' ' 47' ' ' PHE . 27.0 t-105 -82.32 -33.55 28.92 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -39.5 60.24 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.937 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -70.48 -38.3 69.34 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.983 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.2 m -70.73 -34.46 71.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.874 0.369 . . . . 0.0 110.596 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.2 tt . . . . . 0 C--N 1.332 -0.175 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.838 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -51.94 -29.1 18.9 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-O 120.825 0.345 . . . . 0.0 110.782 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' HG13 ' A' ' 33' ' ' ILE . 1.5 tt0 -64.62 -50.63 66.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.689 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.36 -29.47 61.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.765 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.435 ' HA ' HG12 ' A' ' 34' ' ' ILE . 12.7 mm-40 -67.31 -36.59 81.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.109 0.481 . . . . 0.0 110.496 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.02 -35.03 71.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.917 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.701 HD13 ' CD2' ' A' ' 67' ' ' LEU . 5.0 mt -71.32 -41.01 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.939 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.435 HG12 ' HA ' ' A' ' 31' ' ' GLU . 40.1 pt -65.71 -36.48 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -36.35 66.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.24 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.411 ' HA3' HG13 ' A' ' 50' ' ' ILE . . . -64.54 -51.25 53.81 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.335 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.527 HD12 HG21 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -70.38 -31.73 69.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.942 0.401 . . . . 0.0 110.814 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.85 -25.84 68.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.087 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -98.88 -42.7 7.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.456 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.476 ' CE2' HG12 ' A' ' 50' ' ' ILE . 32.4 p90 -143.58 129.7 19.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.829 0.347 . . . . 0.0 111.481 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 37' ' ' LEU . 8.5 t 177.51 55.84 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.739 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -103.5 49.27 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.04 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.24 11.59 3.56 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.792 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.31 24.2 3.69 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.689 0.28 . . . . 0.0 111.205 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -178.59 38.21 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.752 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -72.98 -23.3 60.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.442 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.505 ' CD1' HD21 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -44.65 -42.06 7.18 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.662 0.267 . . . . 0.0 111.591 -179.033 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -70.31 -52.49 22.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.814 0.34 . . . . 0.0 111.283 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.68 -50.36 73.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.984 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.533 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -58.33 -39.5 74.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.533 179.789 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.51 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 38.6 t80 -54.74 -49.16 71.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.42 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -68.38 -27.61 66.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.003 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.34 -52.17 20.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.32 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.51 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -78.39 -0.83 30.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.417 179.765 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -53.14 93.17 0.01 OUTLIER 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.823 0.344 . . . . 0.0 111.094 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.5 p -177.41 -40.46 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.639 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.453 HG22 ' HD1' ' A' ' 54' ' ' TYR . 29.2 m -65.69 -29.57 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.403 ' CE3' ' OE2' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -113.16 146.27 39.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.071 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.42 HG22 ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.799 0.333 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.6 t -54.45 -37.26 37.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.64 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.32 -47.73 84.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.328 0.585 . . . . 0.0 109.491 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.433 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 4.6 mm-40 -59.58 -35.66 74.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.519 178.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.701 ' CD2' HD13 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -54.79 -50.11 69.32 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.159 179.087 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -63.34 -28.56 70.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.556 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -49.58 69.41 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.554 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.595 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.52 -33.29 62.74 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.788 179.507 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -72.79 -28.56 62.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.597 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.66 -41.29 54.38 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.01 0.433 . . . . 0.0 110.51 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -72.86 -28.26 67.29 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.282 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.0 p -78.61 -37.16 42.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.837 0.351 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.485 HD13 ' O ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.107 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.582 0.23 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.9 t -59.2 -38.64 80.39 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-O 120.837 0.351 . . . . 0.0 111.078 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.441 ' O ' HG13 ' A' ' 33' ' ' ILE . 1.9 pt-20 -58.97 -52.65 64.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.055 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.11 -40.1 94.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.43 ' O ' HG13 ' A' ' 34' ' ' ILE . 4.8 tt0 -60.76 -29.64 69.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.691 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.47 -38.8 54.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.803 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.717 HD13 HD21 ' A' ' 67' ' ' LEU . 1.2 mt -71.89 -37.93 63.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.959 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.748 HD12 ' N ' ' A' ' 35' ' ' LYS . 2.8 pp -69.15 -38.97 78.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.959 0.409 . . . . 0.0 110.161 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.748 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 tmtm? -72.56 -41.42 65.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.558 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.49 -48.4 85.09 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.639 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.405 HD12 HG21 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -58.28 -42.5 86.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.847 0.356 . . . . 0.0 110.356 179.362 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.72 -29.42 59.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.987 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.406 ' O ' ' CG ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -117.94 27.59 8.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.254 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.59 ' O ' HG23 ' A' ' 41' ' ' THR . 35.1 m-85 -160.21 93.14 1.03 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.821 0.343 . . . . 0.0 110.853 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 40' ' ' PHE . 6.5 p -161.99 77.46 0.51 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.09 -36.52 5.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.16 -161.76 17.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.534 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.91 32.72 2.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.751 0.31 . . . . 0.0 110.95 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -156.66 78.24 0.92 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.984 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.8 -28.5 12.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.805 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.459 ' O ' HG22 ' A' ' 50' ' ' ILE . 39.4 m-85 -63.95 -50.03 70.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -42.86 71.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.844 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -62.73 -50.44 71.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.813 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -59.07 -38.37 73.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.068 0.461 . . . . 0.0 110.595 179.755 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.8 ' CD1' HD23 ' A' ' 67' ' ' LEU . 64.7 t80 -60.42 -39.96 89.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.749 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -68.33 -36.09 78.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.44 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.04 -52.65 22.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.921 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.484 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -79.3 0.85 27.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.213 179.288 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.06 94.04 0.01 OUTLIER 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.942 0.401 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.81 -35.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.579 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.8 t -77.39 -58.35 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.156 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.482 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -68.77 -74.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.937 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 28.7 t60 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.088 -179.856 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.87 HG22 ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.094 0 CA-C-O 120.81 0.338 . . . . 0.0 110.958 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.5 t -60.12 -35.41 61.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.0 m -59.63 -50.01 75.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.174 0.511 . . . . 0.0 110.178 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.87 ' HB2' HG22 ' A' ' 63' ' ' THR . 1.6 tt0 -60.49 -32.09 71.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.911 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.8 HD23 ' CD1' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -64.59 -50.74 66.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.474 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.41 ' CE1' ' HB2' ' A' ' 47' ' ' PHE . 3.9 m-30 -61.3 -28.05 68.92 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.819 179.19 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 66' ' ' GLN . 7.5 m-20 -66.2 -50.02 65.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.569 -0.742 . . . . 0.0 112.114 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.67 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.2 p-80 -79.84 -15.29 57.68 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.298 -0.561 . . . . 0.0 111.114 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.468 ' HA ' ' CE3' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -86.56 -32.02 20.9 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 177.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -77.21 -32.78 56.19 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.075 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.53 -40.44 12.83 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.168 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.9 m -67.26 -44.25 79.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.84 0.352 . . . . 0.0 110.623 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.789 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.647 0.261 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.8 t -51.16 -47.13 62.21 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.827 0.346 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -63.6 -43.45 96.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.321 179.561 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.431 ' N ' ' HG2' ' A' ' 29' ' ' GLU . 8.3 m-20 -60.33 -36.61 78.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.51 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.426 ' HA ' HG22 ' A' ' 34' ' ' ILE . 82.0 mt-10 -68.94 -29.87 68.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.482 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.51 77.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.403 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.816 HD13 ' CD2' ' A' ' 67' ' ' LEU . 5.5 mt -64.3 -50.78 75.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.59 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.587 ' HA ' HD12 ' A' ' 37' ' ' LEU . 6.5 tp -58.82 -40.25 79.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.722 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -33.5 68.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.119 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.04 -42.5 84.64 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.992 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.635 ' O ' HG23 ' A' ' 41' ' ' THR . 2.1 mt -67.21 -39.94 86.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.8 0.334 . . . . 0.0 110.806 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.36 -14.55 61.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.782 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.37 -21.59 11.3 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -90.58 -87.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.573 0.225 . . . . 0.0 111.039 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 37' ' ' LEU . 1.5 p 46.15 43.99 11.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.832 0.348 . . . . 0.0 111.32 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.74 38.93 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.025 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 162.33 -166.54 36.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -103.48 37.67 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -169.35 41.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -25.88 43.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.479 ' O ' HG22 ' A' ' 50' ' ' ILE . 60.0 m-85 -60.48 -49.49 77.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.903 0.382 . . . . 0.0 110.961 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -44.93 67.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.745 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.55 -50.57 73.31 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.806 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.741 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -59.96 -37.56 72.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.969 0.414 . . . . 0.0 110.332 179.42 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.664 ' HD1' HD23 ' A' ' 67' ' ' LEU . 60.4 t80 -53.04 -52.94 56.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.411 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.457 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . 31.5 m-85 -66.1 -25.72 67.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.583 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.8 -51.53 32.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.959 0.409 . . . . 0.0 110.852 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.541 ' O ' HG12 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -78.54 5.11 11.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.073 -179.901 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.457 ' HG3' ' HA ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -52.86 -23.29 6.73 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.249 -0.282 . . . . 0.0 111.255 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 90.4 p -78.65 -59.99 2.56 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.617 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 54' ' ' TYR . 12.3 p -47.67 -31.62 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.701 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -115.7 -159.86 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.597 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 28.1 m80 . . . . . 0 CA--C 1.53 0.198 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.507 ' HB ' ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.807 0.337 . . . . 0.0 111.286 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 67' ' ' LEU . 63.3 t -56.63 -33.27 39.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.133 0.492 . . . . 0.0 109.744 178.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.6 t -60.52 -40.3 90.94 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.507 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 2.9 mm100 -63.05 -37.87 88.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.516 178.459 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.816 ' CD2' HD13 ' A' ' 33' ' ' ILE . 3.1 tm? -53.94 -49.17 69.29 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.636 178.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.66 -28.71 70.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.713 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.43 -49.51 66.51 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.106 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.52 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -76.74 -30.92 56.81 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 46.5 t90 -71.73 -33.34 68.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.267 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -76.07 -39.64 54.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.22 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.26 -28.39 72.73 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.213 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 48.5 m -77.79 -42.11 35.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.808 0.337 . . . . 0.0 110.631 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.8 tp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 179.889 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.739 0.304 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' A' ' 29' ' ' GLU . 51.9 p -56.86 -65.65 0.58 Allowed 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.026 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.404 ' N ' ' OG ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -56.0 -46.9 78.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.142 0.496 . . . . 0.0 110.295 179.572 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.456 ' O ' HG23 ' A' ' 34' ' ' ILE . 35.5 t70 -58.9 -31.02 68.23 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.627 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.472 ' HA ' HG12 ' A' ' 34' ' ' ILE . 55.5 tt0 -66.37 -36.5 83.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.964 0.411 . . . . 0.0 110.527 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.559 ' HB1' ' HB2' ' A' ' 54' ' ' TYR . . . -71.13 -35.69 71.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.637 ' HA ' HG21 ' A' ' 50' ' ' ILE . 8.0 mt -73.02 -38.72 56.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.771 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.472 HG12 ' HA ' ' A' ' 31' ' ' GLU . 46.0 pt -66.4 -35.62 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-O 121.001 0.429 . . . . 0.0 110.32 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.402 ' N ' HG13 ' A' ' 34' ' ' ILE . 5.0 tttm -68.36 -40.02 81.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.034 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.27 -29.4 70.3 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.201 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.668 HD12 ' CD1' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -75.6 -36.28 60.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.978 0.418 . . . . 0.0 110.674 179.824 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.33 -3.14 59.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.655 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -103.63 -42.73 5.56 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -149.75 115.11 5.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.302 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.423 ' CG2' ' HA ' ' A' ' 37' ' ' LEU . 71.4 p -157.79 87.14 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.5 mtmm -113.16 30.71 6.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.758 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.3 -168.01 27.83 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.44 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.81 34.34 5.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -154.01 30.21 0.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -24.44 30.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.028 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.641 ' CD1' HD11 ' A' ' 37' ' ' LEU . 47.7 m-85 -52.78 -45.99 67.37 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.026 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -63.22 -45.2 92.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -57.72 -47.62 81.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.737 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.668 ' CD1' HD12 ' A' ' 37' ' ' LEU . 51.9 mt -58.64 -38.98 74.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.703 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.673 ' CD1' HD23 ' A' ' 67' ' ' LEU . 60.7 t80 -58.86 -44.82 91.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.784 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -68.22 -28.52 67.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.115 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.72 -52.51 10.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 110.843 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.559 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -79.39 0.34 29.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.722 179.708 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -53.09 -25.05 11.58 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.67 0.271 . . . . 0.0 111.216 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.74 -18.46 62.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.996 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.0 t -89.74 -75.23 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.842 0.353 . . . . 0.0 111.361 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -117.17 139.9 50.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.446 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.7 m170 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.405 179.649 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.685 HG22 ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.897 0.38 . . . . 0.0 110.642 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 68.3 t -52.49 -35.78 20.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -60.74 -48.41 81.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.149 0.499 . . . . 0.0 109.682 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.685 ' HB2' HG22 ' A' ' 63' ' ' THR . 12.9 tt0 -60.28 -32.52 71.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.893 178.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.717 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -61.72 -51.08 69.85 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.401 179.742 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -61.78 -28.11 69.22 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.849 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -66.09 -49.99 65.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.707 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.717 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.0 p-80 -79.83 -17.27 53.69 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.076 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.505 ' HA ' ' CE3' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -84.43 -29.83 25.81 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.061 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -79.12 -33.05 44.63 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.155 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.05 -37.02 23.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.445 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 70' ' ' HIS . 43.3 p -74.11 -48.25 30.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.794 0.33 . . . . 0.0 111.011 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 tt . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.982 -179.84 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.776 0.322 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.8 t -65.09 -31.7 73.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.261 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.477 ' O ' HG13 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -56.38 -52.85 63.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.954 -179.785 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -61.39 -38.47 87.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.444 ' O ' HG13 ' A' ' 34' ' ' ILE . 7.2 mt-10 -68.43 -29.19 67.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.704 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.412 ' HA ' ' CG ' ' A' ' 35' ' ' LYS . . . -72.26 -36.44 69.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.206 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.503 HD13 HD22 ' A' ' 67' ' ' LEU . 4.0 mt -70.83 -44.2 76.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.61 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.596 HD12 ' N ' ' A' ' 35' ' ' LYS . 2.6 pp -65.94 -41.61 90.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.596 ' N ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -73.65 -30.07 62.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.005 0.431 . . . . 0.0 110.079 178.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.6 -43.8 84.51 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.134 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.751 HD23 ' HE ' ' A' ' 46' ' ' ARG . 3.1 mp -69.06 -42.25 76.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.761 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.05 -21.06 66.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.443 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -104.48 -22.04 13.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.369 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.695 ' O ' HG23 ' A' ' 41' ' ' THR . 17.6 m-85 -115.07 126.4 54.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.069 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.695 HG23 ' O ' ' A' ' 40' ' ' PHE . 0.8 OUTLIER -168.53 82.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -136.97 32.47 2.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.54 -168.77 48.33 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.561 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 59.71 30.0 19.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.18 94.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.751 ' HE ' HD23 ' A' ' 37' ' ' LEU . 27.5 ptt-85 -57.93 -26.24 61.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.425 ' O ' HG22 ' A' ' 50' ' ' ILE . 72.0 m-85 -62.81 -49.07 76.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.973 0.416 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -70.54 -48.28 56.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.776 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -59.25 -50.45 73.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.839 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.75 -37.9 68.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.304 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.711 ' HD1' HD23 ' A' ' 67' ' ' LEU . 75.9 t80 -62.3 -37.15 84.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.32 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -61.84 -47.41 85.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.336 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.68 -32.22 69.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.095 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.464 ' CE1' ' HB ' ' A' ' 57' ' ' VAL . 2.6 t80 -78.4 -8.72 58.79 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.372 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -53.53 -36.22 61.55 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.689 0.28 . . . . 0.0 111.142 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.8 t -55.59 -23.1 25.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.285 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.464 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 47.6 t -83.52 -73.17 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.341 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -114.09 155.59 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.136 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.883 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.23 0.064 0 N-CA-C 111.437 0.162 . . . . 0.0 111.437 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.7 t -51.22 -27.41 6.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-O 120.93 0.395 . . . . 0.0 110.07 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 t -66.59 -40.06 88.73 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.457 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -64.49 -39.23 93.4 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.464 178.722 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.711 HD23 ' HD1' ' A' ' 51' ' ' TYR . 2.4 tm? -55.22 -47.1 75.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.793 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -64.65 -28.54 69.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.662 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.66 -49.47 68.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.088 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.531 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -76.71 -30.91 56.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.121 0.486 . . . . 0.0 109.715 179.086 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 20.4 t-105 -73.03 -31.24 64.32 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.308 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.38 -36.96 53.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.446 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.39 -29.32 64.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.253 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.9 m -77.45 -43.63 31.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.759 0.314 . . . . 0.0 110.71 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.557 0.217 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.27 -27.2 44.95 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-O 120.706 0.289 . . . . 0.0 111.144 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.454 ' O ' HG13 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -58.69 -52.7 64.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.919 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -57.65 -40.29 78.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.597 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' O ' HG13 ' A' ' 34' ' ' ILE . 6.4 mp0 -68.58 -29.47 68.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.685 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.15 -36.27 74.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.796 HD13 ' CD2' ' A' ' 67' ' ' LEU . 4.0 mt -71.23 -47.28 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.545 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.689 HD12 ' N ' ' A' ' 35' ' ' LYS . 2.8 pp -63.57 -37.82 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.305 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.689 ' N ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -73.79 -37.23 65.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.198 0.523 . . . . 0.0 110.032 178.886 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.408 ' O ' ' CD1' ' A' ' 40' ' ' PHE . . . -63.64 -47.05 90.34 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.175 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.613 ' O ' HG22 ' A' ' 41' ' ' THR . 0.9 OUTLIER -69.31 -40.11 77.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.713 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.67 -23.56 59.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.444 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -91.54 -32.87 15.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.245 -179.764 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.463 ' O ' ' HB ' ' A' ' 41' ' ' THR . 0.1 OUTLIER -148.84 129.12 13.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 111.367 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 37' ' ' LEU . 3.7 t 170.4 84.46 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.502 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -119.39 42.79 2.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.996 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 112.41 178.06 19.84 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.673 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.08 21.68 9.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.687 0.28 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 50.45 87.2 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.402 ' CG ' ' HA ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -66.91 -23.58 66.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.252 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -45.1 -41.87 8.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.707 0.289 . . . . 0.0 111.734 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -52.18 24.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 111.229 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -50.37 73.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.8 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.73 -37.93 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.619 179.678 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.815 ' OH ' HG22 ' A' ' 63' ' ' THR . 30.8 t80 -58.41 -41.71 85.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.302 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -68.26 -34.67 76.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.4 -52.43 39.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.3 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.468 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -78.62 -1.17 32.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.374 179.825 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -53.24 -31.2 42.2 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.859 0.361 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 m -63.5 -20.77 65.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.026 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.2 t -80.05 -74.36 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.375 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -121.63 158.46 28.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.234 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.869 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.815 HG22 ' OH ' ' A' ' 51' ' ' TYR . 14.5 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.891 0.377 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.7 t -50.59 -32.92 10.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 120.963 0.411 . . . . 0.0 109.987 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.3 m -58.9 -43.13 90.97 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.42 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 15.8 mt-30 -61.54 -36.81 81.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.397 178.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.796 ' CD2' HD13 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -53.81 -50.02 67.07 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.863 178.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -63.4 -28.53 70.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.612 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -65.46 -49.66 68.27 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.427 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.607 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -75.62 -28.23 58.76 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 178.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.471 ' HZ3' HG22 ' A' ' 34' ' ' ILE . 26.1 t-105 -69.65 -35.8 75.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.282 179.468 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -40.19 63.08 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.16 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.71 -30.75 72.76 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.107 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.9 m -72.06 -45.68 59.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.815 0.341 . . . . 0.0 110.556 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.73 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -53.27 -41.07 65.16 Favored 'General case' 0 C--N 1.34 0.159 0 CA-C-O 120.893 0.378 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.483 ' O ' HG13 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -56.77 -52.6 64.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.96 -179.856 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.82 -42.82 94.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.404 ' HA ' HG12 ' A' ' 34' ' ' ILE . 3.6 tt0 -58.79 -33.35 70.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.56 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.443 ' HA ' ' HG2' ' A' ' 35' ' ' LYS . . . -71.91 -36.86 70.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.986 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.835 HG22 HD12 ' A' ' 37' ' ' LEU . 1.8 mt -69.72 -39.06 77.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.949 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.426 HG13 ' N ' ' A' ' 35' ' ' LYS . 32.7 pt -66.43 -40.94 87.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' HG2' ' HA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -72.21 -36.58 69.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.173 0.511 . . . . 0.0 110.102 179.331 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.482 ' HA3' ' CG1' ' A' ' 50' ' ' ILE . . . -70.14 -42.24 67.83 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.119 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.835 HD12 HG22 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -68.3 -31.72 71.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.835 0.35 . . . . 0.0 110.699 179.735 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.83 -23.65 60.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.367 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.1 -25.03 12.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.612 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -113.47 124.44 52.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.33 . . . . 0.0 111.273 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.404 ' HA ' ' HG2' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -155.76 84.12 1.03 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.891 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -33.02 61.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.047 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.52 86.15 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.788 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 55.61 52.27 11.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.874 0.369 . . . . 0.0 111.205 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -176.87 37.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.632 ' HD3' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -88.05 -28.63 21.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.993 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.609 ' HD1' HD11 ' A' ' 37' ' ' LEU . 29.8 m-85 -58.5 -46.69 86.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.777 -179.411 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.512 ' OE1' HG21 ' A' ' 64' ' ' VAL . 13.0 mt-30 -70.21 -54.72 11.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.953 0.406 . . . . 0.0 111.194 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -44.21 84.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.092 -179.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.797 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -62.09 -41.18 90.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.753 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.626 ' HD1' HD23 ' A' ' 67' ' ' LEU . 81.3 t80 -56.85 -41.94 78.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.973 0.416 . . . . 0.0 110.778 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -65.23 -43.15 92.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.505 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.22 -53.1 41.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.892 0.377 . . . . 0.0 111.068 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.501 ' CD2' ' HA ' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -79.72 4.09 17.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.491 179.262 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -24.32 9.11 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.691 0.281 . . . . 0.0 111.201 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.1 t -58.1 -26.94 63.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.863 0.363 . . . . 0.0 110.698 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.5 t -76.24 -69.18 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.563 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -71.41 179.86 2.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.71 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.33 179.847 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.87 0.367 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.512 HG21 ' OE1' ' A' ' 48' ' ' GLN . 1.1 t 73.93 -52.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.522 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.488 ' N ' HG12 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -63.2 -33.23 75.02 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.916 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -68.33 -32.69 72.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.302 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.7 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -66.64 -50.83 61.67 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.168 179.635 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -62.81 -27.91 69.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.89 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -66.07 -49.82 66.3 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.248 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.7 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.1 p-80 -82.78 -21.74 34.51 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.079 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.403 ' HB2' HD13 ' A' ' 67' ' ' LEU . 51.4 t-105 -79.73 -30.64 40.94 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.791 178.332 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 44.1 ttm-85 -76.69 -46.27 26.25 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.108 0.48 . . . . 0.0 109.936 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.63 -31.01 75.31 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.254 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.9 m -81.84 -28.17 33.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.643 0.258 . . . . 0.0 111.104 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.207 0 CA-C-O 120.929 0.395 . . . . 0.0 111.45 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.57 -24.95 23.26 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-O 120.668 0.27 . . . . 0.0 111.195 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.659 ' HG3' HG12 ' A' ' 57' ' ' VAL . 1.7 mp0 -54.52 -52.56 61.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.96 0.41 . . . . 0.0 111.167 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -68.31 -35.27 77.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.466 ' O ' HG13 ' A' ' 34' ' ' ILE . 3.3 mm-40 -73.06 -29.85 63.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.56 -38.36 67.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.49 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.913 HD12 HD11 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -68.59 -49.13 67.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.518 179.246 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.603 HD12 ' N ' ' A' ' 35' ' ' LYS . 2.7 pp -56.83 -38.75 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 120.489 -0.484 . . . . 0.0 109.732 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.603 ' N ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -73.54 -29.86 62.71 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 177.769 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.56 -47.84 60.09 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.583 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.756 HD12 HG21 ' A' ' 50' ' ' ILE . 10.5 mp -71.95 -32.11 66.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 111.027 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.17 -6.39 59.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.744 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.97 -33.18 4.02 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.422 ' O ' ' HB ' ' A' ' 41' ' ' THR . 11.4 m-85 -110.23 92.29 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 111.491 -179.473 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 41' ' ' THR . 9.6 t 179.86 91.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.03 27.93 5.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.822 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.94 -71.99 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.408 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 179.06 -38.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.766 0.317 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -134.0 67.82 1.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.073 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.438 ' CB ' ' HA ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -100.29 -24.16 14.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.717 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.62 ' O ' HG22 ' A' ' 50' ' ' ILE . 6.3 m-85 -45.48 -44.54 12.49 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.342 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -31.76 70.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.333 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -50.54 67.97 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.371 179.55 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.823 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -60.35 -37.62 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.886 179.131 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.737 ' CD1' HD23 ' A' ' 67' ' ' LEU . 27.7 t80 -58.2 -39.97 80.34 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.205 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -61.89 -58.97 5.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.209 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.37 -27.38 69.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.295 179.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.515 ' CE2' HG12 ' A' ' 33' ' ' ILE . 22.1 t80 -78.05 -11.16 59.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.179 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -53.38 -30.18 38.49 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.808 0.337 . . . . 0.0 111.135 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.2 t -63.76 -30.76 71.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.659 HG12 ' HG3' ' A' ' 29' ' ' GLU . 21.6 t -78.35 -55.04 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.171 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.505 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -94.79 -163.4 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.813 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.75 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.58 HG22 ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.799 0.333 . . . . 0.0 111.052 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 87.1 t -55.03 -35.01 33.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.97 0.414 . . . . 0.0 110.393 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.6 t -59.21 -42.51 91.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.646 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.58 ' HB2' HG22 ' A' ' 63' ' ' THR . 4.0 tp60 -59.86 -38.01 80.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.662 178.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.913 HD11 HD12 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -56.98 -47.63 80.33 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.095 179.033 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -63.05 -28.25 69.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.74 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -65.31 -49.55 69.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.359 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.632 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.67 -33.72 62.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.223 0.535 . . . . 0.0 109.656 179.308 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.457 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 43.3 t-105 -71.48 -32.15 67.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.651 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.55 -29.84 41.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.538 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.34 -26.59 57.04 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.252 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 70' ' ' HIS . 51.1 p -85.3 -37.1 20.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.733 0.301 . . . . 0.0 110.951 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.416 HD22 ' CZ2' ' A' ' 71' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.81 -27.29 4.83 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.908 0.385 . . . . 0.0 110.798 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.18 -47.19 46.16 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.049 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -56.51 -39.33 73.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.043 0.449 . . . . 0.0 110.427 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -29.89 70.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.399 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.02 -38.03 78.98 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.426 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.018 HD13 HD22 ' A' ' 67' ' ' LEU . 5.8 mt -65.11 -51.17 69.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.534 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -57.73 -39.19 69.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.619 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -67.27 -40.5 86.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.167 0.508 . . . . 0.0 109.788 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.93 -50.14 62.91 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.691 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mp -59.39 -31.19 69.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.38 . . . . 0.0 110.672 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.61 -30.77 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.43 ' O ' ' CG ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -116.4 27.14 9.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.253 -179.835 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.43 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 56.7 m-85 -158.59 -146.19 0.15 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.694 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.596 ' HA ' ' HB2' ' A' ' 46' ' ' ARG . 2.3 t 45.4 83.7 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.121 0.486 . . . . 0.0 111.721 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -135.86 22.45 3.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.289 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 128.22 155.41 8.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.37 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.19 11.7 8.47 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.2 100.36 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.97 0.414 . . . . 0.0 111.211 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.596 ' HB2' ' HA ' ' A' ' 41' ' ' THR . 4.5 mmp_? -95.14 -23.33 17.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.196 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -44.33 -42.2 6.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.909 -178.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -69.61 -50.31 45.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.807 0.337 . . . . 0.0 111.168 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -50.36 73.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.987 0.422 . . . . 0.0 110.828 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.668 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.44 -37.49 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.467 179.707 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.553 ' HD2' HD23 ' A' ' 67' ' ' LEU . 3.7 t80 -56.37 -48.53 76.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.536 179.196 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -62.56 -34.53 77.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.41 -52.55 52.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.356 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.482 ' CD2' ' HA ' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -78.93 2.1 21.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.621 179.669 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.2 ttm105 -53.16 -24.96 11.91 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.749 0.309 . . . . 0.0 111.219 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 62.6 m -60.5 -26.15 66.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.725 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 80.1 t -74.84 -72.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.425 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -108.53 164.55 12.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.793 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.459 ' HB ' ' CE1' ' A' ' 51' ' ' TYR . 65.6 p . . . . . 0 CA--C 1.522 -0.101 0 CA-C-O 120.868 0.366 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 63' ' ' THR . 85.5 t 70.53 -52.61 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.981 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.2 p -57.08 -46.05 82.83 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.436 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -62.89 -39.22 93.82 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.298 178.546 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.018 HD22 HD13 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -54.55 -50.25 68.38 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.017 178.891 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.4 ' O ' ' N ' ' A' ' 72' ' ' ARG . 5.0 m-30 -62.71 -28.38 69.91 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.903 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.11 -49.37 70.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.9 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.552 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -77.18 -29.71 54.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.137 0.494 . . . . 0.0 109.709 178.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -74.21 -29.7 61.86 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.582 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' TYR . 5.2 mtm-85 -77.97 -40.35 39.63 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.035 0.445 . . . . 0.0 110.352 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -72.2 -28.24 68.56 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.209 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.1 p -77.21 -48.2 18.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.351 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.6 mt . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.3 p -53.08 -24.51 10.25 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.355 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.542 ' HG3' ' CZ2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -79.58 -52.46 7.97 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.214 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.31 -28.94 70.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.347 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.423 ' O ' HG13 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -71.17 -29.52 65.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.566 179.728 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.29 -36.62 58.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.572 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.708 HD13 HD22 ' A' ' 67' ' ' LEU . 5.4 mt -71.61 -42.2 71.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.716 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 31' ' ' GLU . 2.2 pp -66.52 -39.1 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.336 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -73.54 -36.89 65.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.813 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.444 ' HA3' HD11 ' A' ' 50' ' ' ILE . . . -64.89 -52.18 44.52 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.719 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.677 HD12 HG21 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -60.27 -36.88 78.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.806 0.336 . . . . 0.0 110.458 179.523 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.64 -24.67 67.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.419 ' O ' ' CD1' ' A' ' 40' ' ' PHE . 1.4 tmt_? -121.23 26.98 8.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.182 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 39' ' ' ARG . 28.7 m-85 -155.99 88.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.956 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.495 HG22 ' HG2' ' A' ' 46' ' ' ARG . 1.3 p -148.28 75.67 1.34 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.32 -34.63 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.959 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.03 -167.46 21.44 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.706 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.21 30.22 3.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.7 0.286 . . . . 0.0 110.842 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.14 69.82 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.999 0.428 . . . . 0.0 110.725 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.495 ' HG2' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER -77.32 -32.34 55.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.986 -179.774 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.405 ' O ' HG22 ' A' ' 50' ' ' ILE . 27.9 m-85 -60.46 -46.09 91.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.257 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.15 -53.32 17.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.018 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.74 -47.31 82.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.325 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.803 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -61.72 -39.93 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.179 -179.701 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.473 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 86.5 t80 -58.54 -43.22 89.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -68.23 -34.41 76.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.347 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.75 -52.53 24.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.895 0.379 . . . . 0.0 111.169 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.473 ' CD2' ' HA ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -78.72 -1.45 34.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.262 179.478 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -53.41 -23.92 11.1 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.74 0.305 . . . . 0.0 111.364 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.0 m -53.86 -28.37 35.57 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.8 0.333 . . . . 0.0 110.917 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.21 -63.85 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.054 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.542 ' CZ2' ' HG3' ' A' ' 29' ' ' GLU . 74.4 m95 -109.47 108.21 18.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 -179.829 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.423 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 2.3 t . . . . . 0 CA--C 1.523 -0.084 0 CA-C-O 120.76 0.314 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.448 ' CG1' ' CZ ' ' A' ' 68' ' ' TYR . 70.6 t 70.2 -52.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.576 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -42.18 81.91 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.36 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.46 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 42.5 mm-40 -63.83 -39.07 93.36 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.203 178.3 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.708 HD22 HD13 ' A' ' 33' ' ' ILE . 2.0 tm? -55.64 -50.44 70.2 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.979 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.448 ' CZ ' ' CG1' ' A' ' 64' ' ' VAL . 9.5 m-30 -61.46 -28.6 69.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.974 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -64.97 -49.36 70.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.431 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.588 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -75.71 -32.41 60.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.022 0.439 . . . . 0.0 109.98 179.551 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.541 ' HZ3' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -74.93 -27.71 60.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.8 179.673 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.3 -37.51 37.54 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 120.94 0.4 . . . . 0.0 110.591 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -75.81 -28.88 60.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.273 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.1 m -77.73 -49.72 13.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 0.0 110.781 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.541 HD22 ' HZ3' ' A' ' 71' ' ' TRP . 3.4 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.426 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.0 -29.19 19.73 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.442 ' HG2' ' CZ2' ' A' ' 58' ' ' TRP . 0.4 OUTLIER -56.77 -48.98 76.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.044 179.85 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -56.53 -31.79 64.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.793 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.424 ' HA ' ' CG1' ' A' ' 34' ' ' ILE . 12.8 mt-10 -70.12 -29.66 66.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.714 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.29 -35.71 61.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.554 HG21 HD11 ' A' ' 67' ' ' LEU . 7.2 mt -74.44 -40.85 49.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.753 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.62 HD12 ' N ' ' A' ' 35' ' ' LYS . 2.8 pp -66.99 -35.54 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.261 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.62 ' N ' HD12 ' A' ' 34' ' ' ILE . 7.2 mttp -70.58 -34.94 72.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.94 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.6 -30.3 62.28 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.458 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.677 HD23 ' HG3' ' A' ' 46' ' ' ARG . 2.6 mt -77.79 -31.83 52.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 111.033 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.16 -10.97 51.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 0.0 112.013 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -100.37 -47.08 5.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.659 0.266 . . . . 0.0 111.522 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -142.4 141.25 32.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.242 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.458 HG22 ' HG3' ' A' ' 46' ' ' ARG . 77.2 p -157.42 31.55 0.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.826 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.14 73.7 0.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.655 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 45' ' ' GLN . . . -172.44 168.04 41.05 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.44 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.635 ' O ' ' HB2' ' A' ' 45' ' ' GLN . 6.4 mt-30 -62.25 84.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.635 ' HB2' ' O ' ' A' ' 44' ' ' GLN . 8.8 mt-30 80.0 99.34 0.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.796 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.677 ' HG3' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -73.49 -29.25 62.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.051 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.65 ' CE1' HD21 ' A' ' 37' ' ' LEU . 66.8 m-85 -59.81 -50.04 75.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 0.0 111.1 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -66.11 -39.23 89.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.977 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -57.84 -50.41 73.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.58 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.516 HG21 ' HA ' ' A' ' 33' ' ' ILE . 26.2 mt -59.05 -42.83 87.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.506 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.829 ' CD1' HD23 ' A' ' 67' ' ' LEU . 68.1 t80 -56.28 -41.87 76.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.725 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.437 ' O ' ' CG ' ' A' ' 55' ' ' ARG . 3.8 m-85 -68.56 -32.5 72.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.371 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.72 -53.07 9.11 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.369 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.503 ' CD2' ' HA ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -80.3 6.2 12.66 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.88 179.189 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 52' ' ' TYR . 4.7 ppt_? -52.74 -25.53 11.44 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 122.203 -0.31 . . . . 0.0 111.489 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -20.42 53.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 111.051 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.9 t -81.82 -69.32 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.499 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.513 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -78.72 -84.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.714 -179.135 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--N 1.331 -0.219 0 CA-C-O 120.703 0.287 . . . . 0.0 111.52 -179.612 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.735 HG22 ' HB2' ' A' ' 66' ' ' GLN . 4.6 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.822 0.344 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.7 t -58.8 -29.14 39.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.634 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.43 -47.27 84.48 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.035 0.445 . . . . 0.0 110.009 179.323 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.735 ' HB2' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -60.58 -39.07 86.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.837 179.037 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.829 HD23 ' CD1' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -56.63 -48.62 77.11 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.272 179.198 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -63.37 -28.25 69.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.834 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -49.4 65.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.377 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.568 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -75.89 -31.01 59.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.075 0.464 . . . . 0.0 109.804 179.238 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.437 ' CZ2' HD13 ' A' ' 37' ' ' LEU . 33.5 t-105 -75.08 -31.92 61.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.687 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -79.35 -31.95 43.15 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.917 0.389 . . . . 0.0 110.493 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.81 -29.62 54.28 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.122 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.0 p -81.27 -38.08 27.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.765 0.317 . . . . 0.0 110.825 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -50.9 -40.54 57.0 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-O 120.968 0.413 . . . . 0.0 110.774 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.431 ' HG2' ' CD2' ' A' ' 58' ' ' TRP . 1.4 pp20? -63.06 -52.32 63.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.629 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.87 -33.63 70.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.589 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.41 ' HA ' HG22 ' A' ' 34' ' ' ILE . 39.7 mt-10 -70.34 -30.55 67.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.416 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.5 -37.69 74.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.566 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.852 HD13 HD22 ' A' ' 67' ' ' LEU . 6.2 mt -66.67 -48.72 79.34 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.618 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.41 HG22 ' HA ' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -59.0 -38.23 72.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.629 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -69.93 -35.3 74.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.109 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.65 -36.82 53.14 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.145 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.791 HD21 ' CE2' ' A' ' 47' ' ' PHE . 5.6 mp -73.16 -27.1 61.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.705 0.288 . . . . 0.0 110.849 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.59 -21.54 32.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.406 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.03 -56.34 2.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.974 0.416 . . . . 0.0 111.157 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.726 ' O ' HG23 ' A' ' 41' ' ' THR . 33.7 m-85 -84.73 117.06 23.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.904 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.726 HG23 ' O ' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -172.05 84.8 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.13 32.07 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.09 -175.0 26.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.555 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.52 -46.58 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.83 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -116.36 71.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.788 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -76.41 -24.1 54.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.103 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.791 ' CE2' HD21 ' A' ' 37' ' ' LEU . 95.6 m-85 -53.66 -46.91 70.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.334 . . . . 0.0 111.525 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -70.29 -46.68 63.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.326 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.59 -50.53 72.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.994 0.426 . . . . 0.0 110.599 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.839 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -60.51 -37.52 75.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.338 179.435 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.645 ' HD2' HD23 ' A' ' 67' ' ' LEU . 49.0 t80 -54.49 -45.84 73.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.65 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -68.21 -34.02 75.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.768 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.8 -52.14 47.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.49 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.499 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -78.28 -2.36 37.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.57 -179.923 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.18 84.98 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.735 0.302 . . . . 0.0 111.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER 176.69 38.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.823 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.446 HG23 ' N ' ' A' ' 58' ' ' TRP . 10.3 m -136.08 -46.73 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.446 ' N ' HG23 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -112.91 177.53 4.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 75.0 m80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.416 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 1.7 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.711 0.291 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.416 ' HB ' ' O ' ' A' ' 63' ' ' THR . 81.1 t 70.42 -52.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.623 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -43.0 98.14 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.438 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.454 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 9.0 mm100 -64.97 -39.06 92.91 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.065 178.403 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.852 HD22 HD13 ' A' ' 33' ' ' ILE . 2.4 tm? -55.36 -49.18 72.93 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.034 178.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.402 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 4.3 m-30 -63.82 -28.37 69.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.986 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -67.09 -47.71 70.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.006 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.591 ' O ' HG23 ' A' ' 74' ' ' THR . 0.0 OUTLIER -77.31 -30.96 54.33 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 178.856 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -72.74 -33.79 66.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.664 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 68' ' ' TYR . 6.6 tpp85 -75.81 -43.37 46.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.013 0.435 . . . . 0.0 110.032 179.332 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.95 -28.91 74.05 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.971 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 70' ' ' HIS . 17.6 p -77.11 -38.69 51.69 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.881 0.372 . . . . 0.0 110.591 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.538 HD12 ' C ' ' A' ' 74' ' ' THR . 4.2 mp . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.2 -34.16 30.65 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.834 0.35 . . . . 0.0 110.754 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' O ' HG13 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -58.76 -47.01 86.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.796 179.761 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.43 -45.73 80.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.786 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.438 ' O ' HG13 ' A' ' 34' ' ' ILE . 1.9 tm-20 -61.23 -29.51 69.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.56 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.75 -30.03 61.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.622 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.785 HD13 HD21 ' A' ' 67' ' ' LEU . 1.4 mt -72.43 -46.54 55.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.653 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.747 HD12 ' N ' ' A' ' 35' ' ' LYS . 2.8 pp -63.24 -39.92 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.257 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.747 ' N ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -66.96 -33.65 76.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.893 178.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.534 ' HA3' HD11 ' A' ' 50' ' ' ILE . . . -73.64 -41.7 42.4 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.793 -0.717 . . . . 0.0 111.889 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.472 HD12 HG21 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -68.68 -22.94 64.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.929 0.395 . . . . 0.0 110.673 179.558 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.72 -28.84 36.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.61 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -99.0 -63.14 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 111.784 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.579 ' O ' HG23 ' A' ' 41' ' ' THR . 1.7 p90 -104.17 125.31 50.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.215 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.605 HG22 ' HB3' ' A' ' 46' ' ' ARG . 1.4 p -162.03 85.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.933 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -46.83 -40.15 13.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.286 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.22 -36.62 3.64 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.737 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -26.72 8.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.872 0.367 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -157.75 -66.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.64 179.856 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.605 ' HB3' HG22 ' A' ' 41' ' ' THR . 4.5 mtp85 87.86 -38.36 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -75.65 -50.45 15.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.082 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -70.72 -45.55 64.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -50.71 72.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.007 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.745 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -61.16 -37.73 78.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.044 0.449 . . . . 0.0 110.243 179.474 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.534 ' CD1' HD23 ' A' ' 67' ' ' LEU . 17.2 t80 -55.83 -49.41 73.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.442 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.421 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . 62.9 m-85 -68.28 -24.44 64.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.05 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.07 -52.39 24.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.774 0.321 . . . . 0.0 111.552 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.768 ' O ' HG12 ' A' ' 57' ' ' VAL . 1.7 p90 -78.73 0.46 26.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.892 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.421 ' HG3' ' HA ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -53.61 -22.81 9.34 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.55 0.214 . . . . 0.0 111.463 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 t -69.24 -34.42 74.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.675 0.274 . . . . 0.0 111.317 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.768 HG12 ' O ' ' A' ' 54' ' ' TYR . 10.9 p -84.34 -24.84 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.47 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -107.62 165.97 11.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.965 0.412 . . . . 0.0 111.121 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.142 -179.765 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.802 HG22 ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.747 0.308 . . . . 0.0 111.062 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.27 -34.7 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.965 0.412 . . . . 0.0 110.627 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.2 m -57.77 -42.68 84.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.173 0.511 . . . . 0.0 109.802 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.802 ' HB2' HG22 ' A' ' 63' ' ' THR . 16.0 tt0 -61.14 -32.17 71.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.037 178.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.785 HD21 HD13 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -62.69 -51.42 67.26 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.074 179.732 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -61.84 -27.9 69.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.059 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 66' ' ' GLN . 6.8 m-20 -67.28 -49.57 63.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.828 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.735 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.1 p-80 -80.5 -18.41 48.64 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.04 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.586 ' CZ3' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -85.58 -32.88 21.87 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 178.181 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.41 -32.24 54.6 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.29 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.46 -36.23 17.63 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.211 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.544 HG22 ' HA ' ' A' ' 71' ' ' TRP . 15.0 t -69.86 -45.53 67.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.731 0.3 . . . . 0.0 110.759 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.681 HD13 ' O ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 t -56.35 -23.11 35.26 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.087 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.01 -50.18 67.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.593 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -56.29 -31.8 64.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.685 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.428 ' HA ' HG12 ' A' ' 34' ' ' ILE . 35.3 mt-10 -70.45 -32.47 70.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.456 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.7 -32.7 65.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.178 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' A' ' 30' ' ' ASP . 3.4 mt -73.79 -40.06 53.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.576 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.428 HG12 ' HA ' ' A' ' 31' ' ' GLU . 31.9 pt -64.32 -41.07 91.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.634 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.423 ' N ' HG13 ' A' ' 34' ' ' ILE . 3.8 mtpt -66.34 -43.96 84.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.131 0.491 . . . . 0.0 109.76 179.278 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.609 ' HA3' HD11 ' A' ' 50' ' ' ILE . . . -62.72 -48.65 79.63 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.576 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.582 HD12 HG21 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -54.91 -35.4 64.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.787 0.327 . . . . 0.0 110.592 179.498 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.18 -30.23 70.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.976 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.409 ' O ' ' CD1' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -116.58 18.85 14.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.512 -179.835 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.616 ' O ' HG23 ' A' ' 41' ' ' THR . 44.1 m-85 -149.23 106.18 3.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.908 0.385 . . . . 0.0 110.846 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 40' ' ' PHE . 2.7 p -163.3 76.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.751 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.1 mmmt -125.38 43.38 3.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.014 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.9 -174.08 43.46 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.479 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -98.7 30.5 3.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -151.47 39.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.732 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.434 ' O ' HG22 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.59 -28.86 65.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.239 -179.877 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.406 ' O ' HG22 ' A' ' 50' ' ' ILE . 84.3 m-85 -62.01 -50.46 71.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.99 0.424 . . . . 0.0 111.196 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.59 -46.2 63.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.812 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -59.4 -50.43 73.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.96 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.803 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -60.75 -38.07 77.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.086 0.47 . . . . 0.0 110.455 179.602 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.999 ' CD1' HD23 ' A' ' 67' ' ' LEU . 17.6 t80 -54.17 -50.94 65.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.006 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -68.18 -29.09 67.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.129 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.86 -52.58 28.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 0.0 111.088 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.502 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -79.35 6.14 10.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.812 179.497 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 26.5 ptt180 -52.94 113.12 0.99 Allowed 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 121.177 0.513 . . . . 0.0 111.097 -179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 169.72 -36.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.051 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.487 HG23 ' HE1' ' A' ' 54' ' ' TYR . 13.3 m -99.19 15.47 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.991 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.411 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.6 OUTLIER 179.06 135.74 0.09 Allowed 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.49 -179.631 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 120.703 0.287 . . . . 0.0 111.376 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.492 ' OG1' ' N ' ' A' ' 64' ' ' VAL . 14.6 p . . . . . 0 C--O 1.232 0.144 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.492 ' N ' ' OG1' ' A' ' 63' ' ' THR . 4.8 t -49.29 -33.34 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.754 0.312 . . . . 0.0 110.76 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 t -67.62 -39.77 84.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.062 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -65.53 -32.54 74.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.094 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.999 HD23 ' CD1' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -65.09 -51.03 63.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.239 179.7 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -61.71 -28.33 69.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.192 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -71.55 -49.81 37.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.223 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.633 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.2 p-80 -81.04 -15.28 56.55 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.239 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.72 ' CZ3' HD23 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -86.75 -33.33 20.0 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.918 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.78 -31.84 52.14 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 121.032 0.444 . . . . 0.0 110.091 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.02 -40.56 16.35 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.173 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.8 m -67.43 -42.2 83.56 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 120.811 0.339 . . . . 0.0 110.718 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.72 HD23 ' CZ3' ' A' ' 71' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.332 -0.154 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.228 0 CA-C-O 120.51 0.195 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t 79.08 -29.8 0.15 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.491 ' O ' HG13 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -83.13 -43.79 15.83 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.246 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.43 ' O ' HG23 ' A' ' 34' ' ' ILE . 20.3 t0 -64.16 -30.31 71.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.276 179.178 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.422 ' O ' HG13 ' A' ' 34' ' ' ILE . 2.3 mm-40 -70.52 -29.58 66.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.524 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.99 -37.63 58.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.778 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.542 HG22 ' CD1' ' A' ' 37' ' ' LEU . 2.1 mt -72.16 -39.92 65.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.81 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.765 HD12 ' N ' ' A' ' 35' ' ' LYS . 2.8 pp -67.01 -39.08 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.516 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.765 ' N ' HD12 ' A' ' 34' ' ' ILE . 30.8 tttt -73.69 -39.53 64.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.161 0.505 . . . . 0.0 109.777 178.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.424 ' HA3' ' CG1' ' A' ' 50' ' ' ILE . . . -66.55 -44.24 90.43 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.347 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.542 ' CD1' HG22 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -69.54 -31.77 70.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.342 . . . . 0.0 110.559 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.52 -26.16 67.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.169 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.53 -30.52 8.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.563 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.693 ' O ' HG23 ' A' ' 41' ' ' THR . 68.4 m-85 -110.39 132.86 53.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.849 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -168.93 -39.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.5 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.4 66.7 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.0 0.428 . . . . 0.0 110.761 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.19 163.22 35.88 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.616 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.434 ' O ' ' CB ' ' A' ' 45' ' ' GLN . 24.8 tp60 -63.99 81.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.731 0.301 . . . . 0.0 110.319 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.434 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER 80.67 105.93 0.07 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.904 -179.704 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.486 ' HB3' ' HA ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -90.28 -24.46 20.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.33 -179.904 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.506 ' CE1' HD21 ' A' ' 37' ' ' LEU . 6.5 m-85 -65.97 -48.21 72.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.19 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.568 ' HG3' HG21 ' A' ' 64' ' ' VAL . 5.4 tt0 -70.14 -48.0 59.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.076 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -60.45 -50.23 74.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.268 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.78 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -59.7 -40.51 82.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.954 0.407 . . . . 0.0 111.11 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.888 ' CD1' HD23 ' A' ' 67' ' ' LEU . 40.3 t80 -60.18 -38.25 82.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.793 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -68.36 -39.19 81.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.63 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.59 -53.1 38.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.862 0.363 . . . . 0.0 111.077 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.498 ' O ' ' CD1' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -79.78 4.84 15.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.665 179.475 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -52.86 -23.96 8.1 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.591 0.234 . . . . 0.0 111.432 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.44 -24.34 30.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.712 0.292 . . . . 0.0 110.884 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 58' ' ' TRP . 79.8 t -102.57 158.07 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.03 0.443 . . . . 0.0 111.089 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.482 ' N ' HG12 ' A' ' 57' ' ' VAL . 10.1 t90 67.71 -71.07 0.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.385 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.008 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.676 HG22 ' OH ' ' A' ' 51' ' ' TYR . 11.5 t . . . . . 0 CA--C 1.524 -0.029 0 CA-C-O 120.772 0.32 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.568 HG21 ' HG3' ' A' ' 48' ' ' GLN . 95.3 t -51.23 -30.96 10.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.973 0.416 . . . . 0.0 110.0 179.187 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.6 m -59.66 -43.6 93.89 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.436 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 12.5 mt-30 -60.09 -36.95 78.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.418 178.603 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.888 HD23 ' CD1' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -55.03 -50.09 69.93 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.106 178.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.409 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 5.1 m-30 -62.18 -29.54 70.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.704 178.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.37 -49.86 69.97 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.487 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.604 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.68 -31.91 62.04 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.064 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.401 ' CH2' HD22 ' A' ' 75' ' ' LEU . 10.2 t90 -68.0 -29.1 68.04 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.128 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 68' ' ' TYR . 0.2 OUTLIER -79.28 -36.62 39.49 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.063 0.458 . . . . 0.0 109.9 179.032 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.81 -28.23 73.25 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.245 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.1 p -82.66 -45.46 14.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.932 0.396 . . . . 0.0 110.905 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.401 HD22 ' CH2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.114 0 N-CA-C 112.583 -0.207 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.58 155.0 64.11 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.567 2.178 . . . . 0.0 112.387 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.27 -149.78 19.87 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.553 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.9 t -82.56 -57.43 3.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.773 0.321 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 mt 62.57 -79.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 p 59.1 -177.37 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -109.88 -177.13 3.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -100.76 31.31 3.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.14 160.81 14.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -75.22 138.34 41.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 12' ' ' GLY . 11.2 p -123.0 -42.98 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.454 ' N ' HG13 ' A' ' 11' ' ' VAL . . . 68.7 -118.62 9.19 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.2 p -130.43 145.59 35.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.91 0.386 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.19 159.66 53.54 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.43 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 15' ' ' THR . 9.0 t -160.87 119.52 2.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.8 0.334 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.9 m -119.53 145.02 46.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.8 p -130.56 119.8 23.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.91 -82.32 0.16 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.488 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.62 142.0 32.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -139.78 159.38 42.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 60.14 30.13 19.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -100.71 126.77 47.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.739 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -74.16 -83.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 mttm 47.22 41.46 11.91 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.933 0.397 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.487 ' O ' ' N ' ' A' ' 27' ' ' ALA . 0.9 OUTLIER -48.17 137.92 10.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.242 179.303 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 t -67.68 65.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 25' ' ' PHE . . . 65.55 20.07 11.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.573 -178.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.418 ' CB ' ' HB3' ' A' ' 25' ' ' PHE . 4.8 t -61.73 -21.28 64.37 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-O 120.741 0.305 . . . . 0.0 111.197 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.41 ' O ' HG13 ' A' ' 33' ' ' ILE . 1.1 tt0 -55.57 -52.44 63.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -56.48 -32.32 64.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.419 ' HA ' HG12 ' A' ' 34' ' ' ILE . 18.2 mt-10 -69.99 -32.45 70.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.676 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.7 -35.41 70.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.075 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 29' ' ' GLU . 3.5 mt -70.79 -41.37 77.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.902 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.419 HG12 ' HA ' ' A' ' 31' ' ' GLU . 35.3 pt -65.23 -37.98 81.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.558 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.406 ' N ' HG13 ' A' ' 34' ' ' ILE . 15.4 tttt -71.66 -34.62 69.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.118 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.537 ' HA3' HD11 ' A' ' 50' ' ' ILE . . . -73.63 -39.74 48.21 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.245 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.722 HD12 HG21 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -74.8 -24.45 58.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.719 0.295 . . . . 0.0 110.989 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.03 -15.91 37.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.571 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -102.79 -51.28 3.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.78 0.324 . . . . 0.0 111.555 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.487 ' O ' HG23 ' A' ' 41' ' ' THR . 3.0 p90 -130.18 136.22 49.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 40' ' ' PHE . 22.8 p -159.0 33.37 0.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -80.79 85.38 6.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 170.35 154.61 9.59 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.565 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.75 -21.12 60.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.742 0.306 . . . . 0.0 111.183 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -142.4 85.1 1.89 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.635 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -24.23 61.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.493 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.512 ' CE1' HD21 ' A' ' 37' ' ' LEU . 26.4 m-85 -63.74 -50.41 69.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.786 0.327 . . . . 0.0 111.654 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -40.6 74.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.8 0.334 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -65.87 -49.53 67.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.793 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.814 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.62 -38.68 72.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.736 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.865 ' CD1' HD23 ' A' ' 67' ' ' LEU . 31.2 t80 -60.48 -46.79 88.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.624 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.461 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 28.0 m-85 -68.35 -23.49 64.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.51 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.82 -52.89 9.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 111.204 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.5 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -79.44 -0.61 33.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.865 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -53.27 105.7 0.14 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-O 121.053 0.454 . . . . 0.0 111.037 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 168.83 -33.4 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.732 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.2 m -74.16 -24.88 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.487 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.18 -78.29 0.58 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.25 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -151.06 108.03 3.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.108 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.22 93.35 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.589 2.192 . . . . 0.0 112.238 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -177.91 165.82 2.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.879 0.371 . . . . 0.0 111.2 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 -67.6 125.16 25.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.669 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.662 HG22 ' HB2' ' A' ' 66' ' ' GLN . 0.3 OUTLIER -165.55 39.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.915 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 85.0 t -56.03 -33.47 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.71 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.43 -50.44 73.58 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.132 0.492 . . . . 0.0 109.919 179.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.662 ' HB2' HG22 ' A' ' 63' ' ' THR . 4.2 mm100 -58.23 -37.54 75.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.777 178.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.865 HD23 ' CD1' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -56.61 -50.2 72.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.343 179.235 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -61.53 -28.75 69.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.085 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.39 -49.51 66.58 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.492 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.549 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -75.55 -32.34 60.38 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.312 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.408 ' HB2' ' O ' ' A' ' 67' ' ' LEU . 3.6 t-105 -72.35 -28.32 62.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.608 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -78.12 -39.96 39.65 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.963 0.411 . . . . 0.0 110.58 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -75.88 -27.69 62.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.441 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.3 m -78.56 -45.68 21.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.34 . . . . 0.0 110.863 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -59.12 -30.58 68.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -104.55 178.57 4.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -156.96 32.55 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.812 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -128.62 90.98 3.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.4 p -162.03 129.76 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.06 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.1 pt -129.26 49.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -103.95 -35.15 8.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.68 135.04 39.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -149.91 156.74 42.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.996 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.96 142.47 5.22 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.91 116.76 6.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.801 0.334 . . . . 0.0 111.004 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -158.71 35.46 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.788 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -128.11 28.55 4.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.557 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.8 tptt -160.63 94.17 1.04 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.842 0.354 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -148.63 -57.18 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 55.9 p -164.24 -48.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.6 m -97.3 138.38 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.166 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -110.69 108.68 18.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -116.25 147.6 41.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -86.71 174.09 9.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.71 149.35 17.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -69.35 175.09 8.22 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.578 2.185 . . . . 0.0 112.28 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.17 176.14 10.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.83 150.07 36.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -159.46 120.38 3.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.059 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.7 m -84.18 126.62 33.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -135.67 -47.31 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.8 mtt -147.04 105.36 3.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -130.62 93.41 3.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -111.94 147.14 36.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -129.53 -45.38 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.857 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.26 170.18 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.672 2.248 . . . . 0.0 112.265 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 177.59 -38.74 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.0 m -63.58 160.0 17.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.673 0.273 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mt -125.08 -48.14 1.75 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.871 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.86 88.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -110.18 37.76 2.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -95.47 -177.89 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.96 -80.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.158 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.75 130.47 44.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 12' ' ' GLY . 6.3 m -150.73 -47.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.43 ' N ' HG23 ' A' ' 11' ' ' VAL . . . 59.8 174.29 0.83 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.3 m -72.85 165.92 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.764 0.316 . . . . 0.0 111.165 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.75 -38.77 0.23 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.7 m -107.11 131.36 54.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.847 0.356 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 t -126.99 133.53 50.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 p -153.9 170.23 21.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.32 165.34 29.27 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.442 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.93 174.79 10.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -123.75 162.73 22.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -153.14 116.66 4.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -82.05 -176.88 6.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.807 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.426 ' CD2' ' HE2' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -158.73 117.41 2.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.096 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.426 ' HE2' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 59.78 67.32 0.89 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.192 0.52 . . . . 0.0 111.199 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.52 ' C ' ' H ' ' A' ' 27' ' ' ALA . 1.2 t80 -55.27 162.11 1.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.89 178.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.62 -1.58 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.583 0.23 . . . . 0.0 111.022 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.52 ' H ' ' C ' ' A' ' 25' ' ' PHE . . . -132.29 -15.37 2.88 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.996 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.1 m -49.45 -28.82 5.69 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.842 0.353 . . . . 0.0 110.841 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' HG3' ' CD1' ' A' ' 58' ' ' TRP . 1.4 tm-20 -58.14 -51.26 70.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.795 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -56.37 -37.23 69.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.899 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.68 -34.54 75.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.013 0.435 . . . . 0.0 110.332 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.43 -35.01 70.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.368 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.608 HD13 ' CD2' ' A' ' 67' ' ' LEU . 3.6 mt -68.11 -45.46 83.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.773 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 35' ' ' LYS . 29.0 pt -61.6 -39.75 84.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.659 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.4 ' N ' HG13 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -69.37 -41.33 76.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.115 0.483 . . . . 0.0 109.805 179.119 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.544 ' HA3' HD11 ' A' ' 50' ' ' ILE . . . -63.21 -46.23 93.53 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.81 -0.709 . . . . 0.0 111.896 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.493 HD11 HG22 ' A' ' 33' ' ' ILE . 6.3 mt -61.77 -36.5 81.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.946 0.403 . . . . 0.0 110.786 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.64 -34.24 72.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.173 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -100.99 -22.42 14.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.465 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.731 ' O ' HG23 ' A' ' 41' ' ' THR . 6.9 m-85 -108.0 125.41 51.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.773 0.32 . . . . 0.0 111.06 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -171.89 40.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.822 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.99 51.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.81 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -170.93 178.03 43.61 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.547 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -77.28 -30.79 54.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -126.95 75.87 1.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.561 ' O ' HG22 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -59.12 -26.4 64.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.463 ' CE1' ' NE1' ' A' ' 71' ' ' TRP . 27.8 m-85 -66.24 -44.68 83.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.817 0.341 . . . . 0.0 111.144 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -70.33 -48.84 54.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.766 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -50.56 73.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.845 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -62.08 -37.69 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.647 179.714 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.534 ' CD1' HD23 ' A' ' 67' ' ' LEU . 18.0 t80 -54.08 -51.99 62.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.865 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -68.33 -29.13 67.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.198 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.64 -52.05 35.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.546 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.445 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.7 OUTLIER -78.61 -0.61 30.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.611 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -53.76 91.56 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.109 0 CA-C-O 120.936 0.398 . . . . 0.0 111.012 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.4 p -174.08 -41.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.648 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 58' ' ' TRP . 27.2 m -65.96 -44.82 92.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.997 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.604 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -89.24 -161.22 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.555 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.09 113.68 62.72 Favored Pre-proline 0 C--N 1.332 -0.183 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.474 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.23 112.92 2.45 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.488 2.125 . . . . 0.0 112.549 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -166.41 29.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.415 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 50.1 97.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.153 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.95 58.67 1.36 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.338 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.8 t -57.77 -37.45 59.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.129 0.49 . . . . 0.0 109.908 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -41.81 79.12 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.43 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.4 OUTLIER -60.98 -37.54 82.82 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.34 178.515 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.608 ' CD2' HD13 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -54.33 -50.07 68.24 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.015 179.087 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -63.33 -28.44 70.01 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.739 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -49.63 67.71 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.291 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.572 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -75.0 -33.01 61.78 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.165 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.463 ' NE1' ' CE1' ' A' ' 47' ' ' PHE . 28.6 t-105 -71.25 -30.62 66.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.409 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -72.32 -48.0 45.47 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.119 0.485 . . . . 0.0 110.281 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.16 -32.54 84.48 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.094 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 57.9 m -73.66 -36.64 65.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.616 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.93 20.6 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -87.42 148.31 25.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.754 0.312 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.12 -63.41 0.19 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -169.19 126.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.622 HG23 HG12 ' A' ' 80' ' ' ILE . 19.2 m -140.22 -179.86 2.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.051 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.622 HG12 HG23 ' A' ' 79' ' ' VAL . 24.1 pt 41.59 68.02 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.787 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -119.58 29.74 7.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.53 86.23 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -93.18 -56.83 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.835 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.1 102.78 0.13 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.529 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -115.96 32.27 6.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -152.08 -46.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.06 -168.26 11.37 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.535 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.08 -40.74 4.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.737 0.303 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -132.61 -46.71 0.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.1 -170.68 0.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.3 m -145.98 162.01 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.12 111.59 19.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.033 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -156.97 166.19 34.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.32 154.63 20.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.412 ' HB3' ' HD3' ' A' ' 96' ' ' PRO . 0.8 OUTLIER 178.53 -57.87 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.652 179.865 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.412 ' HD3' ' HB3' ' A' ' 95' ' ' SER . 92.2 Cg_endo -83.37 48.32 2.63 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.693 2.262 . . . . 0.0 112.601 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -81.5 -47.51 13.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.827 0.346 . . . . 0.0 110.702 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.96 -22.64 27.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 65.76 93.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.921 0.391 . . . . 0.0 111.102 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 84.0 p -148.88 69.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -175.63 108.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 33.5 mtm -150.81 30.92 0.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 59.52 95.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -123.82 132.72 53.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -95.98 80.97 3.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.301 -0.856 . . . . 0.0 110.907 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.1 -45.81 1.29 Allowed 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.574 2.183 . . . . 0.0 112.364 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -112.19 123.79 6.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m -60.32 173.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.795 0.331 . . . . 0.0 110.941 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.9 mp -98.74 31.14 3.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.86 108.99 20.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.9 m120 60.53 173.93 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -84.14 141.49 31.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.968 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.99 166.38 9.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -97.76 37.89 1.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.86 143.18 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -102.54 -28.87 6.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.445 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.543 ' O ' HG12 ' A' ' 13' ' ' VAL . 14.4 t -97.74 35.41 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 111.172 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -111.3 -48.23 0.71 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.617 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.22 141.84 35.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 110.963 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 p -173.23 -65.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.2 p -72.81 175.98 6.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.01 -63.18 0.13 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.505 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.63 132.76 39.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.832 0.348 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -175.83 89.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -160.84 145.08 13.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.15 147.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -177.17 117.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.08 55.99 3.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.058 0.456 . . . . 0.0 110.729 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.429 ' CB ' ' HB2' ' A' ' 28' ' ' SER . 0.1 OUTLIER -61.75 157.08 18.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.294 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.516 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 12.0 m -73.17 53.92 0.39 Allowed 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 26' ' ' SER . . . 167.64 -26.57 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.759 -178.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.429 ' HB2' ' CB ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -50.3 -31.65 14.92 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-O 120.808 0.337 . . . . 0.0 110.665 179.556 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.436 ' HB3' ' CD2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -56.28 -51.41 68.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.909 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -56.55 -35.37 68.05 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.979 0.418 . . . . 0.0 110.442 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.484 ' O ' HG13 ' A' ' 34' ' ' ILE . 2.9 mm-40 -68.42 -29.32 67.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.436 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.37 -32.82 62.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.811 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.871 HD13 ' CD2' ' A' ' 67' ' ' LEU . 3.7 mt -72.06 -44.81 65.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.702 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 31' ' ' GLU . 0.9 OUTLIER -64.71 -39.02 84.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.299 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.441 ' HG3' HD12 ' A' ' 34' ' ' ILE . 5.7 mtpm? -73.33 -39.01 65.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.114 0.483 . . . . 0.0 109.751 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.487 ' HA3' HD11 ' A' ' 50' ' ' ILE . . . -64.43 -45.22 93.86 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.687 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.914 HD12 HG21 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -61.52 -42.26 98.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.568 179.562 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.08 -17.52 64.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.55 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -124.53 34.88 4.92 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -137.69 -91.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.889 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.798 HG22 ' HD3' ' A' ' 46' ' ' ARG . 16.7 p 43.5 70.1 0.34 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.887 0.375 . . . . 0.0 111.5 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -118.27 37.4 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.81 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 158.84 -163.25 33.08 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.77 32.17 2.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.764 0.316 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.2 50.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.798 ' HD3' HG22 ' A' ' 41' ' ' THR . 0.1 OUTLIER -55.86 -27.81 53.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.548 ' HB3' HD12 ' A' ' 67' ' ' LEU . 31.3 m-85 -60.32 -48.15 82.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.31 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.19 -49.02 54.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.945 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -50.42 73.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.664 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.914 HG21 HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -59.05 -37.56 68.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.412 179.482 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.581 ' HD2' HD23 ' A' ' 67' ' ' LEU . 9.6 t80 -56.46 -44.45 80.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.601 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.421 ' CZ ' ' HB1' ' A' ' 61' ' ' ALA . 14.9 m-85 -67.3 -32.04 72.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.608 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.89 -52.24 45.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.385 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.714 ' O ' HG12 ' A' ' 57' ' ' VAL . 0.7 OUTLIER -78.67 -0.26 29.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.447 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.441 ' CG ' ' HA ' ' A' ' 60' ' ' PRO . 28.0 ttt180 -53.68 -23.11 10.45 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.421 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.55 -37.73 71.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.643 0.259 . . . . 0.0 111.424 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.714 HG12 ' O ' ' A' ' 54' ' ' TYR . 13.5 p -80.68 -18.87 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.721 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.436 ' CD2' ' HB3' ' A' ' 29' ' ' GLU . 1.8 t-105 -130.53 -164.82 1.47 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.869 0.366 . . . . 0.0 111.341 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -59.86 161.57 11.65 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.062 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.441 ' HA ' ' CG ' ' A' ' 55' ' ' ARG . 11.0 Cg_endo -54.19 -177.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.711 2.274 . . . . 0.0 112.357 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.421 ' HB1' ' CZ ' ' A' ' 52' ' ' TYR . . . -92.62 110.58 22.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.337 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 174.55 41.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.756 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.569 HG22 ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER -160.17 47.62 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.253 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 83.5 t -56.46 -34.31 40.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.965 0.412 . . . . 0.0 110.385 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 79.0 p -58.2 -43.83 87.8 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.569 ' HB2' HG22 ' A' ' 63' ' ' THR . 0.5 OUTLIER -61.14 -35.94 78.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.704 178.658 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.871 ' CD2' HD13 ' A' ' 33' ' ' ILE . 2.2 tm? -55.58 -50.53 69.84 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.058 179.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -62.94 -29.16 70.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.781 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -49.33 67.97 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.271 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.597 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.3 -36.2 63.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.165 0.507 . . . . 0.0 109.841 179.349 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.443 ' HE1' HD13 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -70.92 -28.74 64.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.702 179.758 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -75.43 -41.27 56.35 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.952 0.406 . . . . 0.0 110.155 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.46 -37.04 93.93 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.952 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.6 p -74.05 -35.84 64.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.657 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.406 HD21 HE22 ' A' ' 81' ' ' GLN . 3.5 tp -175.52 81.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.043 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.5 ptt85 -75.99 115.43 15.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -77.35 124.56 28.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.07 -54.05 0.35 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 79' ' ' VAL . 12.1 p -158.49 48.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.989 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.558 ' O ' HG23 ' A' ' 80' ' ' ILE . 8.8 tp -148.62 43.64 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.406 HE22 HD21 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -163.9 119.56 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.863 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -91.91 93.52 8.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.94 -172.05 2.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.795 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 157.47 -106.91 0.3 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.586 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -77.69 179.46 6.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.786 0.327 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -156.13 96.82 1.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 177.31 37.93 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.579 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -136.69 31.88 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.782 0.325 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -123.82 31.77 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.764 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.5 t -90.54 163.08 14.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.8 p -99.92 -30.96 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -139.53 149.63 44.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -115.11 154.9 28.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -168.03 119.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.1 m -109.16 93.84 13.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.61 155.57 69.59 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.338 2.025 . . . . 0.0 112.262 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.51 150.48 26.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -105.78 30.81 5.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.13 29.79 7.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.0 t -176.8 37.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -62.43 148.32 45.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.71 175.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 60.75 54.42 3.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -137.46 139.27 40.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -131.78 147.35 52.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.868 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.68 -29.13 40.3 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.734 2.289 . . . . 0.0 112.193 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 109.84 27.75 4.48 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.58 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.09 157.88 38.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.884 0.373 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.535 ' H ' HD23 ' A' ' 5' ' ' LEU . 1.1 pt? -124.35 -39.08 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.46 167.83 9.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.376 . . . . 0.0 110.942 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -110.74 143.02 41.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -166.98 -63.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.26 -179.78 2.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.187 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -66.03 95.16 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.6 p -116.87 -38.1 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.26 -110.14 1.16 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.55 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.6 m -114.41 -39.74 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 110.961 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 147.94 44.51 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.547 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.3 t -179.6 71.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.932 0.396 . . . . 0.0 110.819 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.1 p -97.56 38.33 1.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.87 163.68 25.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.43 78.95 1.56 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.69 -173.36 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.858 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -147.87 129.23 14.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.35 170.39 15.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -134.88 -68.49 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 59.65 31.36 20.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.6 60.2 4.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 27' ' ' ALA . 5.1 m-85 -51.52 140.19 18.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.982 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -69.09 62.89 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 25' ' ' PHE . . . 64.09 23.64 13.27 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.229 -178.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.419 ' CB ' ' HB3' ' A' ' 25' ' ' PHE . 14.7 m -54.94 -32.29 61.17 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.141 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.482 ' O ' HG13 ' A' ' 33' ' ' ILE . 1.6 tt0 -60.16 -53.07 62.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.389 . . . . 0.0 110.526 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.51 -43.11 95.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.499 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.769 ' HG2' HD11 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -63.21 -29.75 71.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.478 179.587 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.04 -42.63 72.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.046 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.623 HD13 ' CD2' ' A' ' 67' ' ' LEU . 3.6 mt -64.63 -41.27 91.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.129 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.769 HD11 ' HG2' ' A' ' 31' ' ' GLU . 37.2 pt -65.67 -40.95 89.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.781 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.441 ' N ' HG13 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -66.84 -39.83 87.75 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.207 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.61 -49.65 67.66 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.485 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.688 HD22 HG21 ' A' ' 50' ' ' ILE . 1.2 mm? -55.29 -37.16 66.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 110.517 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.56 -19.43 62.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.324 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.402 ' O ' ' CD2' ' A' ' 40' ' ' PHE . 4.1 mtt180 -126.23 25.54 6.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.541 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.431 ' O ' HG23 ' A' ' 41' ' ' THR . 38.0 m-85 -162.53 91.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.817 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 40' ' ' PHE . 4.8 p -156.63 73.52 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -115.86 30.81 7.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 179.94 -157.08 19.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.547 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.03 -26.14 15.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 111.018 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.99 42.5 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.414 ' HG3' HD11 ' A' ' 37' ' ' LEU . 1.4 ptt180 -65.25 -42.45 93.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.444 ' O ' HG22 ' A' ' 50' ' ' ILE . 37.7 m-85 -63.11 -46.76 85.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.178 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.405 ' HG3' ' CG2' ' A' ' 64' ' ' VAL . 5.3 tt0 -70.17 -46.57 64.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.059 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -57.88 -50.36 73.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.907 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.773 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -60.97 -38.28 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.634 179.742 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.761 ' OH ' HG22 ' A' ' 63' ' ' THR . 31.1 t80 -60.57 -41.35 94.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.634 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -68.37 -34.83 76.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.315 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.74 -52.74 18.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.96 0.409 . . . . 0.0 110.928 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.466 ' CD2' ' HA ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -79.38 1.77 24.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.575 179.423 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.23 -25.65 14.92 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-O 120.739 0.304 . . . . 0.0 111.24 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 86.6 p -56.99 -25.25 58.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.731 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 43.5 t -80.84 -57.69 4.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.046 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.482 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -57.77 -166.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.967 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.467 ' CB ' ' CD ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -107.99 -67.18 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.371 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' A' ' 59' ' ' HIS . 60.8 Cg_endo -72.98 179.21 5.58 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.179 1.919 . . . . 0.0 112.455 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -146.43 43.53 1.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -166.62 39.39 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.654 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.761 HG22 ' OH ' ' A' ' 51' ' ' TYR . 6.6 t -125.65 46.56 2.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.94 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.405 ' CG2' ' HG3' ' A' ' 48' ' ' GLN . 59.7 t -55.18 -35.89 37.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.512 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 m -57.06 -45.17 83.45 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.349 0.595 . . . . 0.0 109.551 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.438 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 58.6 mm-40 -60.19 -35.35 75.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.521 178.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.623 ' CD2' HD13 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -55.38 -50.14 70.47 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.175 179.063 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.11 -28.43 70.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.604 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -49.41 68.01 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.654 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.584 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.77 -31.87 61.89 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.132 179.631 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -76.19 -30.62 58.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -38.73 56.88 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.981 0.42 . . . . 0.0 110.467 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -72.49 -34.13 60.55 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.15 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.2 p -71.57 -42.43 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.668 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.09 9.86 26.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.225 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 60.3 165.15 0.07 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.865 0.364 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.62 134.17 56.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.04 118.65 22.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.7 m -85.47 -22.58 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.282 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.8 mm 68.44 139.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.08 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 59.97 26.54 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 179.56 -168.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.702 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.03 -40.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -130.11 120.71 3.15 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.74 160.45 25.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.803 0.335 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -90.86 145.48 24.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.06 -152.74 0.16 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.59 -47.86 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -104.7 154.76 19.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.8 t -137.17 -47.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.81 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.488 HG22 ' N ' ' A' ' 92' ' ' ALA . 11.0 p -62.9 158.71 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.063 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.488 ' N ' HG22 ' A' ' 91' ' ' VAL . . . 61.97 168.6 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -124.33 121.81 35.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -162.17 30.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 m -83.06 136.97 43.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.67 101.55 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.572 2.181 . . . . 0.0 112.21 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 59.66 104.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.96 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -118.72 -66.37 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -175.05 -49.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.035 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.8 t 60.5 107.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -142.79 -59.31 0.44 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.96 179.16 4.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 68.69 -67.79 0.2 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.04 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -106.13 100.41 9.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -102.26 36.35 2.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.89 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.118 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 -20.2 35.41 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.631 2.221 . . . . 0.0 112.464 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.66 167.52 3.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.611 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.02 174.36 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.641 0.258 . . . . 0.0 111.02 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.6 mt -93.83 172.0 8.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -106.25 -34.09 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -133.92 96.23 3.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -110.48 166.3 11.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.17 -45.28 1.85 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.054 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -86.84 171.72 10.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t 61.4 103.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.8 -138.86 2.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.445 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.1 t -108.78 152.81 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.834 0.35 . . . . 0.0 111.063 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.77 28.65 7.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.524 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.53 ' O ' HG23 ' A' ' 15' ' ' THR . 6.1 t -150.24 90.17 1.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.806 0.336 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.5 t -77.45 -44.92 27.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.973 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 p -158.56 146.45 18.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -109.69 -101.78 2.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.533 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 62.7 38.36 12.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.347 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -170.74 74.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -167.18 114.21 0.78 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 60.22 33.83 21.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -31.65 70.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -100.95 119.45 38.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.284 0.564 . . . . 0.0 111.02 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.444 ' C ' ' H ' ' A' ' 27' ' ' ALA . 2.7 t80 -146.22 161.8 39.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.338 -0.847 . . . . 0.0 109.868 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.584 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 1.3 t -70.8 47.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 26' ' ' SER . . . 164.94 -22.09 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.604 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.406 ' HB2' ' N ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -57.38 -29.09 63.77 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.837 0.351 . . . . 0.0 111.116 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' O ' HG13 ' A' ' 33' ' ' ILE . 2.5 pp20? -58.89 -49.5 77.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -56.29 -30.07 62.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.768 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.44 ' HA ' HG12 ' A' ' 34' ' ' ILE . 59.6 tt0 -71.89 -32.31 67.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.076 0.465 . . . . 0.0 110.476 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.58 -33.38 66.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.069 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 29' ' ' GLU . 6.4 mt -73.47 -41.26 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.946 0.403 . . . . 0.0 110.607 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.44 HG12 ' HA ' ' A' ' 31' ' ' GLU . 40.8 pt -64.6 -38.22 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.575 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.423 ' N ' HG13 ' A' ' 34' ' ' ILE . 14.8 tttt -71.73 -38.39 70.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.074 0.464 . . . . 0.0 110.023 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.407 ' HA3' ' CG1' ' A' ' 50' ' ' ILE . . . -70.24 -38.51 71.84 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.896 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.493 HD21 ' HA ' ' A' ' 47' ' ' PHE . 40.9 mt -68.28 -33.62 74.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.902 0.382 . . . . 0.0 110.79 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.94 -23.94 60.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.39 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.03 -28.13 12.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.505 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -108.52 118.09 35.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.828 0.347 . . . . 0.0 111.068 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.446 ' HA ' ' HG2' ' A' ' 46' ' ' ARG . 0.6 OUTLIER -158.25 64.89 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.996 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.64 29.5 7.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.06 -151.11 5.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.53 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -112.65 -30.36 7.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.716 0.293 . . . . 0.0 111.06 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -115.37 70.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.919 0.39 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' HG2' ' HA ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -58.51 -28.37 65.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.493 ' HA ' HD21 ' A' ' 37' ' ' LEU . 25.5 m-85 -60.61 -47.31 86.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.906 0.384 . . . . 0.0 111.249 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -69.97 -48.46 58.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.801 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -57.84 -50.24 73.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.834 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -59.7 -38.51 76.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.715 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.865 ' CD1' HD23 ' A' ' 67' ' ' LEU . 36.2 t80 -60.22 -37.31 79.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.676 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -65.52 -50.75 64.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.746 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.26 -45.49 91.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.909 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.493 ' HB3' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -78.02 -4.35 46.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.07 179.705 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -54.83 91.52 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.878 0.37 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 p 177.29 -37.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.591 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.475 ' HB ' ' CE2' ' A' ' 54' ' ' TYR . 53.4 t -66.59 -67.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.091 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.431 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -113.62 120.66 41.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.231 -179.551 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 58.16 69.57 1.47 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -65.73 71.71 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.782 2.321 . . . . 0.0 112.284 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -176.48 175.64 1.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.192 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -59.82 109.2 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.539 HG22 ' CG ' ' A' ' 66' ' ' GLN . 0.2 OUTLIER -163.11 38.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.029 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.6 p -54.12 -32.88 23.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.991 0.424 . . . . 0.0 110.516 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.7 m -58.55 -39.98 81.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.015 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.539 ' CG ' HG22 ' A' ' 63' ' ' THR . 25.8 mm-40 -63.04 -32.74 74.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.972 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.865 HD23 ' CD1' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -62.6 -50.56 70.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.964 179.489 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -62.41 -27.94 69.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.04 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -68.84 -50.22 51.84 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.492 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.667 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.1 p-80 -82.42 -16.08 50.29 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.416 -0.513 . . . . 0.0 110.135 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.435 ' CZ2' ' CE1' ' A' ' 47' ' ' PHE . 27.0 t-105 -82.32 -33.55 28.92 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -39.5 60.24 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.937 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -70.48 -38.3 69.34 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.983 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.2 m -70.73 -34.46 71.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.874 0.369 . . . . 0.0 110.596 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.2 tt -54.63 -41.15 69.7 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.47 92.35 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.786 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -109.2 45.19 1.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.021 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.6 tttt 59.63 30.77 20.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.009 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 80' ' ' ILE . 21.3 t 61.1 155.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.207 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.445 HG22 ' N ' ' A' ' 81' ' ' GLN . 3.2 mp -72.64 156.53 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.068 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.445 ' N ' HG22 ' A' ' 80' ' ' ILE . 61.8 mm-40 -61.86 147.87 45.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -163.45 88.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -121.87 166.46 14.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.31 165.26 9.7 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.474 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -121.2 30.37 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.372 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.1 151.78 42.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.59 -22.11 70.64 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.673 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.42 98.46 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.844 0.354 . . . . 0.0 110.871 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -152.13 168.05 26.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.8 p -141.4 -175.54 4.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.442 ' O ' HG23 ' A' ' 91' ' ' VAL . 15.5 m -142.16 114.86 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.079 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.08 96.84 1.81 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -130.26 130.61 44.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -87.24 -80.22 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.43 ' CB ' ' HD3' ' A' ' 96' ' ' PRO . 0.2 OUTLIER -94.73 -54.41 0.23 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.121 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.43 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 52.0 Cg_exo -54.51 133.73 58.08 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.343 2.029 . . . . 0.0 112.261 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -154.48 178.69 9.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -75.52 106.26 6.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 61.11 58.1 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.44 36.44 3.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -145.11 -177.05 5.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.59 162.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -153.73 154.0 33.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 62.94 146.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 13.6 t30 59.96 31.62 20.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.85 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -51.98 101.5 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.605 2.203 . . . . 0.0 112.35 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 172.93 68.48 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.556 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.9 144.53 50.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt 60.57 107.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -86.94 112.73 22.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 60.3 169.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -105.41 155.12 19.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.63 36.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.167 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -61.78 -66.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.9 p -126.52 145.46 34.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.042 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.79 -72.21 0.23 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.568 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.483 HG12 ' N ' ' A' ' 14' ' ' GLY . 21.3 t -119.32 159.03 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.741 0.305 . . . . 0.0 111.118 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.483 ' N ' HG12 ' A' ' 13' ' ' VAL . . . 63.34 98.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.383 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.5 m -134.87 -45.26 0.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.81 0.338 . . . . 0.0 111.093 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -98.46 157.78 16.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 t 70.3 -64.27 0.37 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.41 65.8 0.57 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.768 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 176.72 39.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.837 0.351 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -122.12 90.4 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.89 87.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.975 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -169.64 167.1 9.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.91 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 61.18 111.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.96 65.91 0.36 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.421 ' HB2' ' CB ' ' A' ' 28' ' ' SER . 0.6 OUTLIER -60.97 155.29 20.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.036 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.522 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 1.3 m -73.04 52.01 0.32 Allowed 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 26' ' ' SER . . . 168.53 -26.53 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.978 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.421 ' CB ' ' HB2' ' A' ' 25' ' ' PHE . 1.9 t -51.94 -29.1 18.9 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-O 120.825 0.345 . . . . 0.0 110.782 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' HG13 ' A' ' 33' ' ' ILE . 1.5 tt0 -64.62 -50.63 66.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.689 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.36 -29.47 61.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.765 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.435 ' HA ' HG12 ' A' ' 34' ' ' ILE . 12.7 mm-40 -67.31 -36.59 81.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.109 0.481 . . . . 0.0 110.496 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.02 -35.03 71.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.917 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.701 HD13 ' CD2' ' A' ' 67' ' ' LEU . 5.0 mt -71.32 -41.01 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.939 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.435 HG12 ' HA ' ' A' ' 31' ' ' GLU . 40.1 pt -65.71 -36.48 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -36.35 66.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.24 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.411 ' HA3' HG13 ' A' ' 50' ' ' ILE . . . -64.54 -51.25 53.81 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.335 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.527 HD12 HG21 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -70.38 -31.73 69.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.942 0.401 . . . . 0.0 110.814 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.85 -25.84 68.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.087 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -98.88 -42.7 7.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.456 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.476 ' CE2' HG12 ' A' ' 50' ' ' ILE . 32.4 p90 -143.58 129.7 19.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.829 0.347 . . . . 0.0 111.481 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 37' ' ' LEU . 8.5 t 177.51 55.84 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.739 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -103.5 49.27 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.04 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.24 11.59 3.56 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.792 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.31 24.2 3.69 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.689 0.28 . . . . 0.0 111.205 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -178.59 38.21 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.752 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -72.98 -23.3 60.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.442 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.505 ' CD1' HD21 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -44.65 -42.06 7.18 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.662 0.267 . . . . 0.0 111.591 -179.033 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -70.31 -52.49 22.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.814 0.34 . . . . 0.0 111.283 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.68 -50.36 73.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.984 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.533 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -58.33 -39.5 74.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.533 179.789 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.51 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 38.6 t80 -54.74 -49.16 71.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.42 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -68.38 -27.61 66.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.003 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.34 -52.17 20.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.32 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.51 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -78.39 -0.83 30.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.417 179.765 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.565 HH11 ' HB1' ' A' ' 61' ' ' ALA . 1.1 ttm180 -53.14 93.17 0.01 OUTLIER 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.823 0.344 . . . . 0.0 111.094 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.5 p -177.41 -40.46 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.639 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.453 HG22 ' HD1' ' A' ' 54' ' ' TYR . 29.2 m -65.69 -29.57 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.447 ' CG ' ' HD2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -113.16 146.27 39.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.402 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -62.04 -53.41 59.66 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.071 -179.835 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.447 ' HD2' ' CG ' ' A' ' 58' ' ' TRP . 76.9 Cg_exo -49.78 142.7 24.8 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.591 2.194 . . . . 0.0 112.415 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.565 ' HB1' HH11 ' A' ' 55' ' ' ARG . . . -131.72 34.77 3.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.089 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.24 90.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.42 HG22 ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER -164.5 49.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.6 t -54.45 -37.26 37.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.64 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.32 -47.73 84.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.328 0.585 . . . . 0.0 109.491 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.433 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 4.6 mm-40 -59.58 -35.66 74.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.519 178.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.701 ' CD2' HD13 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -54.79 -50.11 69.32 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.159 179.087 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -63.34 -28.56 70.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.556 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -49.58 69.41 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.554 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.595 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.52 -33.29 62.74 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.788 179.507 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -72.79 -28.56 62.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.597 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.66 -41.29 54.38 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.01 0.433 . . . . 0.0 110.51 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -72.86 -28.26 67.29 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.282 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.0 p -78.61 -37.16 42.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.837 0.351 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.485 HD13 ' O ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -76.0 -24.67 55.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.107 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? 60.91 77.19 0.34 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.662 ' CD2' HD11 ' A' ' 80' ' ' ILE . 15.9 m-85 58.91 174.52 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.566 ' O ' HG13 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -66.53 -68.09 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.861 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 78' ' ' LYS . 4.5 m -159.59 33.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.662 HD11 ' CD2' ' A' ' 77' ' ' TYR . 1.3 pp -126.9 31.76 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.63 126.46 11.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.38 -43.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -52.2 109.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.028 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -152.99 140.46 7.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.464 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -118.66 33.78 5.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.88 0.372 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -109.53 -66.43 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 133.02 143.41 5.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.557 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.31 -178.69 4.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 60.59 32.12 20.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.59 137.06 41.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 28.7 m -72.07 151.29 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.19 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.8 104.56 2.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -123.93 150.55 44.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -167.69 -43.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.37 101.13 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.66 101.98 0.7 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.441 2.094 . . . . 0.0 112.249 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -152.64 131.5 12.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.814 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.37 -25.86 11.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.057 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 64.99 110.69 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 m 61.58 114.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 36.8 p-10 -130.23 118.53 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.828 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.0 ttp -131.34 -58.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -126.89 -45.23 1.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.2 t30 60.86 37.57 18.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -151.04 96.95 2.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.872 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.603 -0.199 . . . . 0.0 112.603 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.54 -170.82 0.72 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.599 2.199 . . . . 0.0 112.3 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 91.48 134.24 6.16 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.76 159.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.847 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.43 68.86 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -120.31 -39.86 2.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.972 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 63.66 129.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.967 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -77.74 150.83 34.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.16 138.05 6.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.663 ' O ' HG12 ' A' ' 11' ' ' VAL . 4.4 m120 -99.14 36.82 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.663 HG12 ' O ' ' A' ' 10' ' ' ASN . 7.6 p 51.44 161.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.014 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.486 ' N ' HG22 ' A' ' 11' ' ' VAL . . . 170.07 -159.54 32.11 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.612 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.7 m -110.46 28.1 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.738 0.304 . . . . 0.0 111.164 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 123.76 68.3 0.21 Allowed Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.509 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.1 p 54.8 49.97 16.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.888 0.375 . . . . 0.0 111.045 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.2 104.68 8.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 m -139.48 100.31 3.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.35 106.59 3.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.462 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -90.32 -65.38 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.78 -170.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.786 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -102.24 169.35 8.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -146.28 125.69 13.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.63 -45.65 6.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.016 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.19 69.14 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.468 ' O ' ' N ' ' A' ' 27' ' ' ALA . 39.4 m-85 -50.18 142.2 10.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.992 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.13 61.92 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 25' ' ' PHE . . . 65.04 22.15 12.35 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.385 -178.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.438 ' CB ' ' HB3' ' A' ' 25' ' ' PHE . 7.9 t -59.2 -38.64 80.39 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-O 120.837 0.351 . . . . 0.0 111.078 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.441 ' O ' HG13 ' A' ' 33' ' ' ILE . 1.9 pt-20 -58.97 -52.65 64.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.055 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.11 -40.1 94.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.43 ' O ' HG13 ' A' ' 34' ' ' ILE . 4.8 tt0 -60.76 -29.64 69.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.691 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.47 -38.8 54.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.803 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.717 HD13 HD21 ' A' ' 67' ' ' LEU . 1.2 mt -71.89 -37.93 63.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.959 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.748 HD12 ' N ' ' A' ' 35' ' ' LYS . 2.8 pp -69.15 -38.97 78.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.959 0.409 . . . . 0.0 110.161 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.748 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 tmtm? -72.56 -41.42 65.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.558 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.49 -48.4 85.09 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.639 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.405 HD12 HG21 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -58.28 -42.5 86.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.847 0.356 . . . . 0.0 110.356 179.362 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.72 -29.42 59.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.987 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.406 ' O ' ' CG ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -117.94 27.59 8.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.254 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.59 ' O ' HG23 ' A' ' 41' ' ' THR . 35.1 m-85 -160.21 93.14 1.03 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.821 0.343 . . . . 0.0 110.853 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 40' ' ' PHE . 6.5 p -161.99 77.46 0.51 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.09 -36.52 5.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.16 -161.76 17.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.534 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.91 32.72 2.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.751 0.31 . . . . 0.0 110.95 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -156.66 78.24 0.92 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.984 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.8 -28.5 12.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.805 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.459 ' O ' HG22 ' A' ' 50' ' ' ILE . 39.4 m-85 -63.95 -50.03 70.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -42.86 71.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.844 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -62.73 -50.44 71.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.813 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -59.07 -38.37 73.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.068 0.461 . . . . 0.0 110.595 179.755 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.8 ' CD1' HD23 ' A' ' 67' ' ' LEU . 64.7 t80 -60.42 -39.96 89.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.749 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -68.33 -36.09 78.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.44 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.04 -52.65 22.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.921 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.484 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -79.3 0.85 27.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.213 179.288 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.06 94.04 0.01 OUTLIER 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.942 0.401 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.81 -35.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.579 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.8 t -77.39 -58.35 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.156 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.482 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -68.77 -74.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.937 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -158.66 111.6 1.64 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.088 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.73 76.03 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.431 2.087 . . . . 0.0 112.275 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -176.01 164.2 2.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.173 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.7 mtm-85 -59.61 120.5 9.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.87 HG22 ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER -162.07 37.58 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.958 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.5 t -60.12 -35.41 61.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.0 m -59.63 -50.01 75.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.174 0.511 . . . . 0.0 110.178 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.87 ' HB2' HG22 ' A' ' 63' ' ' THR . 1.6 tt0 -60.49 -32.09 71.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.911 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.8 HD23 ' CD1' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -64.59 -50.74 66.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.474 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.41 ' CE1' ' HB2' ' A' ' 47' ' ' PHE . 3.9 m-30 -61.3 -28.05 68.92 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.819 179.19 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 66' ' ' GLN . 7.5 m-20 -66.2 -50.02 65.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.569 -0.742 . . . . 0.0 112.114 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.67 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.2 p-80 -79.84 -15.29 57.68 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.298 -0.561 . . . . 0.0 111.114 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.468 ' HA ' ' CE3' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -86.56 -32.02 20.9 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 177.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -77.21 -32.78 56.19 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.075 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.53 -40.44 12.83 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.168 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.9 m -67.26 -44.25 79.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.84 0.352 . . . . 0.0 110.623 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.2 -65.69 0.99 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.789 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 58.76 178.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.965 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 61.37 98.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.51 -35.07 5.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 80' ' ' ILE . 11.1 p -129.27 158.55 41.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.154 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.486 ' N ' HG22 ' A' ' 79' ' ' VAL . 22.4 mt -145.52 139.3 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.055 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 60.84 112.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -156.12 166.31 33.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.787 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.7 163.38 27.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -108.33 -166.23 21.16 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.72 144.69 16.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -100.07 114.38 27.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -164.75 47.62 0.29 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.46 90.06 7.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -115.62 -68.13 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.99 122.92 6.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.94 -30.99 13.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.35 143.06 58.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.177 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -173.38 178.25 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -112.72 25.14 11.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.414 ' CB ' ' CD ' ' A' ' 96' ' ' PRO . 1.7 t 179.57 -61.66 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.733 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 95' ' ' SER . 55.5 Cg_endo -69.66 80.31 0.86 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.545 2.163 . . . . 0.0 112.253 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -94.75 -63.05 1.22 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.814 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.18 142.51 48.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 62.07 112.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.7 t -170.09 104.51 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -155.39 173.21 16.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.74 32.24 5.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -93.59 103.27 15.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -125.7 168.26 14.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -113.84 105.58 13.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.958 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.145 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.4 -178.79 2.36 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.612 2.208 . . . . 0.0 112.267 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 162.58 -47.07 0.34 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.473 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.37 -78.65 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.765 0.317 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -151.49 105.51 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.968 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m 60.54 93.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -151.19 31.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.794 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -126.53 -45.05 1.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.48 115.98 9.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -72.46 118.37 15.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t 61.38 112.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.1 -137.77 8.81 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.506 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.4 t -66.84 -30.94 51.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.806 0.336 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.31 102.68 0.9 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.559 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.9 t -91.33 164.8 13.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.8 t 61.16 107.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.9 t -104.03 31.86 4.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -99.46 -151.6 26.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.429 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -144.79 -66.6 0.33 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.877 0.37 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -100.23 153.35 19.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -176.44 42.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.82 31.45 0.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -113.61 -55.58 2.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.13 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -158.72 149.67 20.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.162 0.506 . . . . 0.0 110.823 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.432 ' C ' ' H ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER 176.72 161.79 0.4 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.2 -179.669 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 23.8 p -71.78 47.42 0.14 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 26' ' ' SER . . . 167.35 -23.87 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.365 -179.105 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.407 ' HB3' ' N ' ' A' ' 25' ' ' PHE . 7.8 t -51.16 -47.13 62.21 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.827 0.346 . . . . 0.0 110.888 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -63.6 -43.45 96.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.321 179.561 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.431 ' N ' ' HG2' ' A' ' 29' ' ' GLU . 8.3 m-20 -60.33 -36.61 78.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.51 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.426 ' HA ' HG22 ' A' ' 34' ' ' ILE . 82.0 mt-10 -68.94 -29.87 68.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.482 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.51 77.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.403 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.816 HD13 ' CD2' ' A' ' 67' ' ' LEU . 5.5 mt -64.3 -50.78 75.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.59 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.587 ' HA ' HD12 ' A' ' 37' ' ' LEU . 6.5 tp -58.82 -40.25 79.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.722 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -33.5 68.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.119 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.04 -42.5 84.64 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.992 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.635 ' O ' HG23 ' A' ' 41' ' ' THR . 2.1 mt -67.21 -39.94 86.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.8 0.334 . . . . 0.0 110.806 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.36 -14.55 61.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.782 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.37 -21.59 11.3 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -90.58 -87.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.573 0.225 . . . . 0.0 111.039 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 37' ' ' LEU . 1.5 p 46.15 43.99 11.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.832 0.348 . . . . 0.0 111.32 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.74 38.93 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.025 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 162.33 -166.54 36.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -103.48 37.67 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -169.35 41.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -25.88 43.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.479 ' O ' HG22 ' A' ' 50' ' ' ILE . 60.0 m-85 -60.48 -49.49 77.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.903 0.382 . . . . 0.0 110.961 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -44.93 67.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.745 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.55 -50.57 73.31 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.806 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.741 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -59.96 -37.56 72.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.969 0.414 . . . . 0.0 110.332 179.42 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.664 ' HD1' HD23 ' A' ' 67' ' ' LEU . 60.4 t80 -53.04 -52.94 56.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.411 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.457 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . 31.5 m-85 -66.1 -25.72 67.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.583 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.8 -51.53 32.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.959 0.409 . . . . 0.0 110.852 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.541 ' O ' HG12 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -78.54 5.11 11.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.073 -179.901 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.457 ' HG3' ' HA ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -52.86 -23.29 6.73 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.249 -0.282 . . . . 0.0 111.255 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 90.4 p -78.65 -59.99 2.56 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.617 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 54' ' ' TYR . 12.3 p -47.67 -31.62 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.701 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.407 ' HB3' ' HD3' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -115.7 -159.86 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.597 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.531 ' N ' ' HD3' ' A' ' 60' ' ' PRO . 28.1 m80 -132.84 55.12 15.68 Favored Pre-proline 0 CA--C 1.53 0.198 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.531 ' HD3' ' N ' ' A' ' 59' ' ' HIS . 87.1 Cg_endo -92.25 -165.06 0.14 Allowed 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 122.857 2.371 . . . . 0.0 112.195 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -159.19 -67.17 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.001 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.9 ptt85 -154.52 49.24 0.6 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.379 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.507 ' HB ' ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER -108.38 65.06 0.62 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.286 -179.578 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 67' ' ' LEU . 63.3 t -56.63 -33.27 39.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.133 0.492 . . . . 0.0 109.744 178.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.6 t -60.52 -40.3 90.94 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.507 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 2.9 mm100 -63.05 -37.87 88.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.516 178.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.816 ' CD2' HD13 ' A' ' 33' ' ' ILE . 3.1 tm? -53.94 -49.17 69.29 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.636 178.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.66 -28.71 70.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.713 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.43 -49.51 66.51 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.106 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.52 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -76.74 -30.92 56.81 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 46.5 t90 -71.73 -33.34 68.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.267 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.404 ' HG3' ' HB3' ' A' ' 76' ' ' ARG . 1.9 ttt85 -76.07 -39.64 54.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.22 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.26 -28.39 72.73 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.213 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 48.5 m -77.79 -42.11 35.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.808 0.337 . . . . 0.0 110.631 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.8 tp -158.48 81.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.404 ' HB3' ' HG3' ' A' ' 72' ' ' ARG . 19.2 ptt180 -77.79 -178.87 5.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -154.09 135.76 14.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.811 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -157.48 79.4 0.88 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.68 98.92 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.075 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.2 pt -141.64 119.26 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.098 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.91 87.0 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -122.45 108.83 13.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -111.47 -33.87 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -178.37 140.08 4.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.516 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -150.09 36.28 0.68 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.2 ptp85 -167.94 111.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.763 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 178.35 -36.48 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.408 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -83.56 91.2 7.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.85 92.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.829 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 m -78.47 -35.35 46.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.3 m -107.13 124.69 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.187 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -139.15 -177.23 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -111.0 -175.24 2.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -152.2 175.87 12.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.42 166.21 11.93 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.784 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.19 139.99 47.87 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.504 2.136 . . . . 0.0 112.286 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.13 108.15 4.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.75 107.69 17.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.76 -178.67 5.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.09 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.8 t -119.8 167.9 11.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -146.37 91.01 2.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 56.6 mtt -136.87 177.93 7.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 60.68 100.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.819 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -153.97 156.36 37.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.39 152.49 38.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.868 -179.952 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.151 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.62 62.89 2.98 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.488 2.125 . . . . 0.0 112.317 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 84.92 166.23 41.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.536 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.5 p -176.48 -43.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.935 0.397 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tt -138.18 -47.67 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.821 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.4 p -84.97 130.72 34.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 60.45 164.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.825 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -135.6 94.96 3.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.23 77.29 1.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -155.86 -45.02 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.9 p -55.71 138.31 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.86 -36.6 3.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.51 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.9 m 41.61 74.69 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.809 0.338 . . . . 0.0 111.773 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.81 143.94 45.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.5 m -67.48 116.64 8.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.349 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.76 165.78 26.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.74 -172.52 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -145.78 117.59 1.0 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -172.66 171.42 4.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.714 0.293 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -121.77 -77.57 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.31 -79.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 mtt-85 -141.1 136.68 32.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.54 -77.72 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt 170.58 47.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.987 0.423 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.469 ' O ' ' N ' ' A' ' 27' ' ' ALA . 15.6 p90 -48.99 134.32 17.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.719 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.32 61.73 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' PHE . . . 59.74 27.39 16.66 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.257 -178.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' A' ' 29' ' ' GLU . 51.9 p -56.86 -65.65 0.58 Allowed 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.026 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.436 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -56.0 -46.9 78.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.142 0.496 . . . . 0.0 110.295 179.572 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.456 ' O ' HG23 ' A' ' 34' ' ' ILE . 35.5 t70 -58.9 -31.02 68.23 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.627 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.472 ' HA ' HG12 ' A' ' 34' ' ' ILE . 55.5 tt0 -66.37 -36.5 83.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.964 0.411 . . . . 0.0 110.527 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.559 ' HB1' ' HB2' ' A' ' 54' ' ' TYR . . . -71.13 -35.69 71.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.637 ' HA ' HG21 ' A' ' 50' ' ' ILE . 8.0 mt -73.02 -38.72 56.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.771 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.472 HG12 ' HA ' ' A' ' 31' ' ' GLU . 46.0 pt -66.4 -35.62 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-O 121.001 0.429 . . . . 0.0 110.32 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.402 ' N ' HG13 ' A' ' 34' ' ' ILE . 5.0 tttm -68.36 -40.02 81.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.034 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.27 -29.4 70.3 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.201 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.668 HD12 ' CD1' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -75.6 -36.28 60.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.978 0.418 . . . . 0.0 110.674 179.824 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.33 -3.14 59.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.655 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -103.63 -42.73 5.56 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -149.75 115.11 5.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.302 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.423 ' CG2' ' HA ' ' A' ' 37' ' ' LEU . 71.4 p -157.79 87.14 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.5 mtmm -113.16 30.71 6.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.758 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.3 -168.01 27.83 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.44 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.81 34.34 5.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -154.01 30.21 0.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -24.44 30.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.028 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.641 ' CD1' HD11 ' A' ' 37' ' ' LEU . 47.7 m-85 -52.78 -45.99 67.37 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.026 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -63.22 -45.2 92.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -57.72 -47.62 81.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.737 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.668 ' CD1' HD12 ' A' ' 37' ' ' LEU . 51.9 mt -58.64 -38.98 74.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.703 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.673 ' CD1' HD23 ' A' ' 67' ' ' LEU . 60.7 t80 -58.86 -44.82 91.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.784 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -68.22 -28.52 67.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.115 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.72 -52.51 10.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 110.843 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.559 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -79.39 0.34 29.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.722 179.708 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -53.09 -25.05 11.58 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.67 0.271 . . . . 0.0 111.216 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.74 -18.46 62.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.996 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.0 t -89.74 -75.23 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.842 0.353 . . . . 0.0 111.361 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -117.17 139.9 50.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.446 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.7 m170 52.53 92.69 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.405 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -77.33 -26.34 7.51 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.583 2.189 . . . . 0.0 112.383 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.71 -168.03 0.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.222 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -95.99 136.55 36.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.685 HG22 ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER -167.44 42.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.642 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 68.3 t -52.49 -35.78 20.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -60.74 -48.41 81.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.149 0.499 . . . . 0.0 109.682 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.685 ' HB2' HG22 ' A' ' 63' ' ' THR . 12.9 tt0 -60.28 -32.52 71.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.893 178.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.717 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -61.72 -51.08 69.85 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.401 179.742 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -61.78 -28.11 69.22 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.849 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -66.09 -49.99 65.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.707 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.717 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.0 p-80 -79.83 -17.27 53.69 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.076 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.505 ' HA ' ' CE3' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -84.43 -29.83 25.81 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.061 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -79.12 -33.05 44.63 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.155 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.05 -37.02 23.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.445 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 70' ' ' HIS . 43.3 p -74.11 -48.25 30.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.794 0.33 . . . . 0.0 111.011 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 tt -57.73 -43.3 85.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.982 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.72 100.3 12.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.37 -176.98 3.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.97 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.503 ' O ' HG12 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -164.36 -171.01 2.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.741 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 79' ' ' VAL . 11.6 p 45.24 29.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.682 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 78.0 mt -142.61 127.79 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.925 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -124.69 105.5 9.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -104.56 123.88 48.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.37 158.76 43.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -174.13 118.13 0.67 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 60.08 160.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.347 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.07 118.55 15.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.21 -113.05 5.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.14 146.54 42.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.884 0.373 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -127.37 -176.74 3.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.6 t -156.46 173.81 16.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.7 t -128.99 61.63 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.059 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 58.38 27.96 16.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -177.54 119.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.038 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.97 94.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.42 ' N ' ' CD ' ' A' ' 96' ' ' PRO . 0.5 OUTLIER -67.34 -52.23 29.83 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.984 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.42 ' CD ' ' N ' ' A' ' 95' ' ' SER . 37.0 Cg_exo -57.22 85.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.452 2.102 . . . . 0.0 112.203 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -135.78 155.76 49.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.994 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.59 80.12 1.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -151.08 126.01 9.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 m -112.11 -35.5 5.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.452 ' O ' ' ND2' ' A' ' 101' ' ' ASN . 0.8 OUTLIER -78.23 64.23 3.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.798 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.95 172.69 6.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 60.81 41.19 14.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.2 m120 61.25 160.78 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -162.49 91.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.816 -179.942 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.75 -24.91 34.15 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.574 2.183 . . . . 0.0 112.328 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 124.57 114.61 2.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.488 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.2 p -151.85 -177.88 6.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.92 179.81 4.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m 61.11 38.5 16.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -146.21 104.81 3.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -144.14 146.88 33.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.007 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.15 -28.71 69.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.211 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.11 162.91 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.477 ' O ' HG23 ' A' ' 11' ' ' VAL . 10.0 m -141.32 90.63 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.124 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.64 43.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.557 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.5 p -179.18 142.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.35 . . . . 0.0 111.056 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 165.03 -127.17 1.59 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.557 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.97 128.62 23.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.772 0.32 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.09 117.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 p -86.0 109.42 18.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.802 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.07 162.91 36.92 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -125.33 94.13 4.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.756 0.312 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -112.42 174.01 6.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -122.4 135.57 54.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.08 100.42 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.77 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 58.42 22.2 9.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.021 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.05 -175.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.314 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.684 ' O ' ' N ' ' A' ' 27' ' ' ALA . 0.1 OUTLIER 62.46 111.83 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 -178.713 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.86 68.33 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.953 0.406 . . . . 0.0 110.461 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.684 ' N ' ' O ' ' A' ' 25' ' ' PHE . . . 51.13 26.7 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.578 -179.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.443 ' HB3' ' CD1' ' A' ' 25' ' ' PHE . 5.8 t -65.09 -31.7 73.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.261 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.477 ' O ' HG13 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -56.38 -52.85 63.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.954 -179.785 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -61.39 -38.47 87.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.444 ' O ' HG13 ' A' ' 34' ' ' ILE . 7.2 mt-10 -68.43 -29.19 67.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.704 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.412 ' HA ' ' CG ' ' A' ' 35' ' ' LYS . . . -72.26 -36.44 69.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.206 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.503 HD13 HD22 ' A' ' 67' ' ' LEU . 4.0 mt -70.83 -44.2 76.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.61 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.596 HD12 ' N ' ' A' ' 35' ' ' LYS . 2.6 pp -65.94 -41.61 90.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.596 ' N ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -73.65 -30.07 62.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.005 0.431 . . . . 0.0 110.079 178.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.6 -43.8 84.51 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.134 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.751 HD23 ' HE ' ' A' ' 46' ' ' ARG . 3.1 mp -69.06 -42.25 76.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.761 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.05 -21.06 66.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.443 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -104.48 -22.04 13.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.369 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.695 ' O ' HG23 ' A' ' 41' ' ' THR . 17.6 m-85 -115.07 126.4 54.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.069 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.695 HG23 ' O ' ' A' ' 40' ' ' PHE . 0.8 OUTLIER -168.53 82.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -136.97 32.47 2.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.54 -168.77 48.33 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.561 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 59.71 30.0 19.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.18 94.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.751 ' HE ' HD23 ' A' ' 37' ' ' LEU . 27.5 ptt-85 -57.93 -26.24 61.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.425 ' O ' HG22 ' A' ' 50' ' ' ILE . 72.0 m-85 -62.81 -49.07 76.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.973 0.416 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -70.54 -48.28 56.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.776 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -59.25 -50.45 73.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.839 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.75 -37.9 68.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.304 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.711 ' HD1' HD23 ' A' ' 67' ' ' LEU . 75.9 t80 -62.3 -37.15 84.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.32 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -61.84 -47.41 85.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.336 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.68 -32.22 69.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.095 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.464 ' CE1' ' HB ' ' A' ' 57' ' ' VAL . 2.6 t80 -78.4 -8.72 58.79 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.372 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -53.53 -36.22 61.55 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.689 0.28 . . . . 0.0 111.142 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.8 t -55.59 -23.1 25.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.285 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.464 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 47.6 t -83.52 -73.17 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.341 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -114.09 155.59 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.136 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -177.21 58.74 0.15 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.433 ' HG2' ' HG2' ' A' ' 66' ' ' GLN . 19.5 Cg_endo -59.42 -75.14 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.556 2.171 . . . . 0.0 112.578 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -129.19 -87.35 0.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.278 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -57.86 -175.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.684 -0.235 . . . . 0.0 110.538 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 p -125.95 -99.95 0.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.437 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.7 t -51.22 -27.41 6.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-O 120.93 0.395 . . . . 0.0 110.07 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 t -66.59 -40.06 88.73 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.457 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -64.49 -39.23 93.4 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.464 178.722 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.711 HD23 ' HD1' ' A' ' 51' ' ' TYR . 2.4 tm? -55.22 -47.1 75.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.793 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -64.65 -28.54 69.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.662 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.66 -49.47 68.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.088 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.531 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -76.71 -30.91 56.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.121 0.486 . . . . 0.0 109.715 179.086 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 20.4 t-105 -73.03 -31.24 64.32 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.308 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.38 -36.96 53.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.446 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.39 -29.32 64.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.253 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.9 m -77.45 -43.63 31.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.759 0.314 . . . . 0.0 110.71 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.52 -49.04 79.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -104.85 99.86 9.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.14 -167.77 2.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -97.74 165.52 11.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.44 -60.44 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.479 ' O ' HD12 ' A' ' 80' ' ' ILE . 2.5 pp -142.64 137.74 28.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.211 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.89 -55.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -79.01 -51.66 9.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.18 168.39 10.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 157.01 153.36 6.63 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.76 100.84 10.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.66 139.24 40.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 169.23 82.01 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.543 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -120.78 -41.83 2.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.907 0.384 . . . . 0.0 110.938 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -57.57 -29.78 64.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.51 85.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.4 m -141.69 125.52 16.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.189 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -122.98 109.04 13.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -143.19 -176.05 4.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -89.09 139.49 30.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 96' ' ' PRO . 1.4 m -72.95 -62.3 1.33 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 95' ' ' SER . 53.0 Cg_endo -69.65 86.89 0.55 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.419 2.079 . . . . 0.0 112.253 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -148.71 -53.12 0.18 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.35 153.46 29.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.856 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.29 -64.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.26 -68.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.29 -46.9 1.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.2 102.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -115.83 -178.11 3.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -112.0 -49.72 2.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -104.26 171.36 7.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.842 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.088 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.05 114.75 1.76 Allowed 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.607 2.205 . . . . 0.0 112.244 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.99 118.69 4.82 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.9 p -163.38 154.77 16.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.07 169.29 1.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m 179.65 -36.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 66.75 89.49 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -89.45 -37.04 15.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.06 -175.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -85.96 167.92 14.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t 59.68 106.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.166 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.11 173.87 22.21 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.548 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.0 p -127.58 142.54 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 111.022 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 68.85 73.01 0.75 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.95 -46.54 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.771 0.32 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 p -113.42 154.99 26.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 t -114.34 121.14 42.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.87 73.19 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.522 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.4 112.42 6.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -136.17 -179.81 5.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.1 tttt 62.19 150.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -129.68 96.97 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -152.2 -61.63 0.16 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.79 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' HG3' HG13 ' A' ' 57' ' ' VAL . 27.2 mtpt -102.02 125.29 48.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.227 0.537 . . . . 0.0 111.004 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.431 ' C ' ' H ' ' A' ' 27' ' ' ALA . 1.4 m-85 -153.3 161.7 42.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.043 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.55 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 1.4 m -71.14 48.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 26' ' ' SER . . . 168.09 -24.27 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.595 -179.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.413 ' HB2' ' N ' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -55.27 -27.2 44.95 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-O 120.706 0.289 . . . . 0.0 111.144 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.454 ' O ' HG13 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -58.69 -52.7 64.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.919 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -57.65 -40.29 78.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.597 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' O ' HG13 ' A' ' 34' ' ' ILE . 6.4 mp0 -68.58 -29.47 68.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.685 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.15 -36.27 74.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.796 HD13 ' CD2' ' A' ' 67' ' ' LEU . 4.0 mt -71.23 -47.28 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.545 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.689 HD12 ' N ' ' A' ' 35' ' ' LYS . 2.8 pp -63.57 -37.82 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.305 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.689 ' N ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -73.79 -37.23 65.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.198 0.523 . . . . 0.0 110.032 178.886 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.408 ' O ' ' CD1' ' A' ' 40' ' ' PHE . . . -63.64 -47.05 90.34 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.175 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.613 ' O ' HG22 ' A' ' 41' ' ' THR . 0.9 OUTLIER -69.31 -40.11 77.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.713 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.67 -23.56 59.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.444 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -91.54 -32.87 15.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.245 -179.764 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.463 ' O ' ' HB ' ' A' ' 41' ' ' THR . 0.1 OUTLIER -148.84 129.12 13.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 111.367 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 37' ' ' LEU . 3.7 t 170.4 84.46 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.502 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -119.39 42.79 2.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.996 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 112.41 178.06 19.84 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.673 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.08 21.68 9.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.687 0.28 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 50.45 87.2 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.402 ' CG ' ' HA ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -66.91 -23.58 66.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.252 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -45.1 -41.87 8.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.707 0.289 . . . . 0.0 111.734 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -52.18 24.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 111.229 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -50.37 73.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.8 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.73 -37.93 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.619 179.678 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.815 ' OH ' HG22 ' A' ' 63' ' ' THR . 30.8 t80 -58.41 -41.71 85.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.302 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -68.26 -34.67 76.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.4 -52.43 39.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.3 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.468 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -78.62 -1.17 32.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.374 179.825 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.445 ' CD ' ' HA ' ' A' ' 60' ' ' PRO . 2.9 tmm_? -53.24 -31.2 42.2 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.859 0.361 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 m -63.5 -20.77 65.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.026 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.414 HG13 ' HG3' ' A' ' 24' ' ' LYS . 46.2 t -80.05 -74.36 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.375 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -121.63 158.46 28.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.234 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 55.36 84.79 0.2 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.445 ' HA ' ' CD ' ' A' ' 55' ' ' ARG . 59.6 Cg_endo -72.17 -11.02 26.65 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.619 2.213 . . . . 0.0 112.773 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -104.22 158.88 16.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 111.246 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.416 ' O ' ' HB ' ' A' ' 63' ' ' THR . 21.1 mtt85 -66.99 142.22 57.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.815 HG22 ' OH ' ' A' ' 51' ' ' TYR . 14.5 t -176.66 51.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.144 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.7 t -50.59 -32.92 10.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 120.963 0.411 . . . . 0.0 109.987 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.3 m -58.9 -43.13 90.97 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.42 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 15.8 mt-30 -61.54 -36.81 81.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.397 178.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.796 ' CD2' HD13 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -53.81 -50.02 67.07 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.863 178.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -63.4 -28.53 70.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.612 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -65.46 -49.66 68.27 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.427 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.607 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -75.62 -28.23 58.76 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 178.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.471 ' HZ3' HG22 ' A' ' 34' ' ' ILE . 26.1 t-105 -69.65 -35.8 75.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.282 179.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -40.19 63.08 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.16 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.71 -30.75 72.76 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.107 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.9 m -72.06 -45.68 59.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.815 0.341 . . . . 0.0 110.556 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -57.65 -37.32 73.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.73 179.75 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.61 89.27 7.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -67.96 146.42 53.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.976 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -140.72 69.92 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.1 m -88.71 -33.17 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.16 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.8 pt -87.33 74.57 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.199 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.79 137.57 3.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.952 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -100.41 136.4 40.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -132.53 70.56 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 126.96 -178.52 16.81 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.45 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -108.23 123.64 49.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.8 mmm-85 -98.61 146.38 25.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 93.43 63.38 1.07 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.399 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -145.95 166.9 24.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.751 0.31 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -92.05 95.05 9.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.53 83.12 0.15 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.7 p -81.06 134.61 26.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 59.73 178.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.107 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -129.31 106.7 8.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -126.97 93.26 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.1 p 63.25 137.41 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.6 124.32 15.5 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.479 2.119 . . . . 0.0 112.282 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 61.9 149.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.16 171.91 19.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.37 155.13 24.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.42 -58.07 0.64 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -114.35 120.9 41.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.3 tpp -99.59 87.48 3.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 60.74 30.6 19.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 59.87 177.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -96.62 146.14 25.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.9 -179.911 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.114 0 N-CA-C 112.577 -0.209 . . . . 0.0 112.577 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.22 108.47 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.608 2.205 . . . . 0.0 112.309 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.1 -73.44 0.22 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.5 p -66.53 175.3 2.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.785 0.326 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.1 102.23 6.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.3 129.15 41.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -135.04 160.88 36.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.002 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -99.65 130.83 45.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -173.7 129.61 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.157 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -138.22 88.33 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.8 m -105.81 159.86 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.92 -178.9 22.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 14' ' ' GLY . 15.3 m -139.74 -46.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 0.0 111.14 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.462 ' N ' HG23 ' A' ' 13' ' ' VAL . . . 110.21 -72.84 0.21 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.503 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 m 68.71 -67.91 0.19 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.837 0.351 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.9 m 68.55 -68.56 0.17 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.987 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m 61.24 164.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.19 160.15 26.87 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 tttt -117.24 104.96 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.18 171.46 10.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -120.81 30.65 6.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -143.21 86.91 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.468 ' CE1' HG22 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -153.47 39.45 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.877 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.3 pttt -166.27 45.0 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.453 ' HB3' ' CB ' ' A' ' 28' ' ' SER . 46.4 t80 -57.79 155.72 9.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.227 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.569 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 78.9 p -72.43 52.95 0.29 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.29 0.567 . . . . 0.0 109.533 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 26' ' ' SER . . . 164.77 -24.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.145 -179.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.453 ' CB ' ' HB3' ' A' ' 25' ' ' PHE . 1.2 m -53.27 -41.07 65.16 Favored 'General case' 0 C--N 1.34 0.159 0 CA-C-O 120.893 0.378 . . . . 0.0 111.099 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.483 ' O ' HG13 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -56.77 -52.6 64.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.96 -179.856 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.82 -42.82 94.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.404 ' HA ' HG12 ' A' ' 34' ' ' ILE . 3.6 tt0 -58.79 -33.35 70.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.56 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.443 ' HA ' ' HG2' ' A' ' 35' ' ' LYS . . . -71.91 -36.86 70.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.986 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.835 HG22 HD12 ' A' ' 37' ' ' LEU . 1.8 mt -69.72 -39.06 77.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.949 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.426 HG13 ' N ' ' A' ' 35' ' ' LYS . 32.7 pt -66.43 -40.94 87.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' HG2' ' HA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -72.21 -36.58 69.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.173 0.511 . . . . 0.0 110.102 179.331 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.482 ' HA3' ' CG1' ' A' ' 50' ' ' ILE . . . -70.14 -42.24 67.83 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.119 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.835 HD12 HG22 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -68.3 -31.72 71.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.835 0.35 . . . . 0.0 110.699 179.735 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.83 -23.65 60.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.367 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.1 -25.03 12.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.612 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -113.47 124.44 52.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.33 . . . . 0.0 111.273 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.404 ' HA ' ' HG2' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -155.76 84.12 1.03 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.891 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -33.02 61.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.047 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.52 86.15 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.788 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 55.61 52.27 11.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.874 0.369 . . . . 0.0 111.205 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -176.87 37.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.632 ' HD3' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -88.05 -28.63 21.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.993 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.609 ' HD1' HD11 ' A' ' 37' ' ' LEU . 29.8 m-85 -58.5 -46.69 86.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.777 -179.411 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.512 ' OE1' HG21 ' A' ' 64' ' ' VAL . 13.0 mt-30 -70.21 -54.72 11.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.953 0.406 . . . . 0.0 111.194 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -44.21 84.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.092 -179.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.797 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -62.09 -41.18 90.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.753 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.626 ' HD1' HD23 ' A' ' 67' ' ' LEU . 81.3 t80 -56.85 -41.94 78.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.973 0.416 . . . . 0.0 110.778 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -65.23 -43.15 92.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.505 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.22 -53.1 41.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.892 0.377 . . . . 0.0 111.068 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.501 ' CD2' ' HA ' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -79.72 4.09 17.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.491 179.262 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -24.32 9.11 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.691 0.281 . . . . 0.0 111.201 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.1 t -58.1 -26.94 63.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.863 0.363 . . . . 0.0 110.698 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.468 HG22 ' CE1' ' A' ' 23' ' ' TYR . 25.5 t -76.24 -69.18 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.563 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -71.41 179.86 2.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.71 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -173.13 56.47 0.21 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.33 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -81.8 -166.35 0.39 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.617 2.211 . . . . 0.0 112.215 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.64 -73.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.903 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -87.88 165.8 15.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.608 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 t -119.72 151.42 38.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.512 HG21 ' OE1' ' A' ' 48' ' ' GLN . 1.1 t 73.93 -52.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.522 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.488 ' N ' HG12 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -63.2 -33.23 75.02 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.916 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -68.33 -32.69 72.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.302 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.7 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -66.64 -50.83 61.67 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.168 179.635 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -62.81 -27.91 69.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.89 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -66.07 -49.82 66.3 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.248 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.7 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.1 p-80 -82.78 -21.74 34.51 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.079 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.403 ' HB2' HD13 ' A' ' 67' ' ' LEU . 51.4 t-105 -79.73 -30.64 40.94 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.791 178.332 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.411 ' O ' ' HB3' ' A' ' 76' ' ' ARG . 44.1 ttm-85 -76.69 -46.27 26.25 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.108 0.48 . . . . 0.0 109.936 179.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.63 -31.01 75.31 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.254 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.9 m -81.84 -28.17 33.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.643 0.258 . . . . 0.0 111.104 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.94 68.41 0.94 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.929 0.395 . . . . 0.0 111.45 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.411 ' HB3' ' O ' ' A' ' 72' ' ' ARG . 6.6 ptt180 -76.95 -44.74 30.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.806 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -97.64 -168.79 1.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? 70.08 47.49 0.57 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.926 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.2 m -100.98 163.13 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.097 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.0 mt 63.95 123.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -81.88 -27.14 33.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 63.84 24.08 13.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.043 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.91 89.4 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.086 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.19 148.48 17.64 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -165.88 155.49 12.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.79 0.328 . . . . 0.0 110.929 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -156.71 137.23 13.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -179.46 -130.34 1.45 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.13 122.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.947 0.404 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -141.18 139.96 33.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.5 t -155.13 95.51 1.73 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.949 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.46 87.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -161.69 115.83 1.93 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.997 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -111.72 -33.37 6.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.96 129.23 16.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 m 59.66 72.01 0.84 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.62 -28.76 47.57 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.54 2.16 . . . . 0.0 112.311 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -90.62 89.41 7.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -151.55 32.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.16 115.78 9.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.175 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 40.5 t -108.85 -46.45 3.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -94.79 -43.22 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 67.95 -69.97 0.13 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.53 77.39 1.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -176.46 111.14 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -106.9 -59.6 1.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.884 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.108 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.22 -28.84 35.44 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.516 2.144 . . . . 0.0 112.326 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -141.08 176.31 21.7 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.9 t -136.45 176.04 9.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.39 113.26 14.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.2 -41.75 6.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -156.03 -56.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 9' ' ' ALA . 48.3 p90 -157.44 -45.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.416 ' N ' ' CD1' ' A' ' 8' ' ' PHE . . . 63.06 164.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -131.7 148.96 52.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.537 ' O ' HG12 ' A' ' 11' ' ' VAL . 17.1 t -96.62 40.66 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.02 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.56 144.7 6.62 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.468 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.4 t -108.35 126.9 65.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.804 0.335 . . . . 0.0 111.151 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.623 ' O ' HG23 ' A' ' 15' ' ' THR . . . -126.07 53.0 0.79 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.463 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -166.51 102.97 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.33 . . . . 0.0 110.918 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -164.74 154.15 13.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.4 p -168.45 171.24 9.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.6 -148.0 18.83 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.555 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.58 97.88 10.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.9 0.381 . . . . 0.0 110.94 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -164.55 32.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -105.96 29.55 6.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 -113.26 72.8 0.79 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -146.41 99.81 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.646 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -116.88 54.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.04 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.419 ' HB2' ' CB ' ' A' ' 28' ' ' SER . 5.1 m-85 -55.95 158.97 3.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.169 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.553 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 4.1 m -72.7 53.57 0.33 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 26' ' ' SER . . . 165.91 -25.28 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.99 -178.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.419 ' CB ' ' HB2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -54.57 -24.95 23.26 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-O 120.668 0.27 . . . . 0.0 111.195 179.883 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.659 ' HG3' HG12 ' A' ' 57' ' ' VAL . 1.7 mp0 -54.52 -52.56 61.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.96 0.41 . . . . 0.0 111.167 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -68.31 -35.27 77.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.466 ' O ' HG13 ' A' ' 34' ' ' ILE . 3.3 mm-40 -73.06 -29.85 63.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.56 -38.36 67.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.49 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.913 HD12 HD11 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -68.59 -49.13 67.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.518 179.246 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.603 HD12 ' N ' ' A' ' 35' ' ' LYS . 2.7 pp -56.83 -38.75 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 120.489 -0.484 . . . . 0.0 109.732 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.603 ' N ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -73.54 -29.86 62.71 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 177.769 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.56 -47.84 60.09 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.583 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.756 HD12 HG21 ' A' ' 50' ' ' ILE . 10.5 mp -71.95 -32.11 66.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 111.027 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.17 -6.39 59.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.744 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.97 -33.18 4.02 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.422 ' O ' ' HB ' ' A' ' 41' ' ' THR . 11.4 m-85 -110.23 92.29 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 111.491 -179.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 41' ' ' THR . 9.6 t 179.86 91.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.03 27.93 5.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.822 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.94 -71.99 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.408 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 179.06 -38.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.766 0.317 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -134.0 67.82 1.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.073 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.438 ' CB ' ' HA ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -100.29 -24.16 14.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.717 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.62 ' O ' HG22 ' A' ' 50' ' ' ILE . 6.3 m-85 -45.48 -44.54 12.49 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.342 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -31.76 70.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.333 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -50.54 67.97 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.371 179.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.823 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -60.35 -37.62 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.886 179.131 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.737 ' CD1' HD23 ' A' ' 67' ' ' LEU . 27.7 t80 -58.2 -39.97 80.34 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.205 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -61.89 -58.97 5.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.209 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.37 -27.38 69.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.295 179.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.515 ' CE2' HG12 ' A' ' 33' ' ' ILE . 22.1 t80 -78.05 -11.16 59.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.179 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -53.38 -30.18 38.49 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.808 0.337 . . . . 0.0 111.135 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.2 t -63.76 -30.76 71.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.659 HG12 ' HG3' ' A' ' 29' ' ' GLU . 21.6 t -78.35 -55.04 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.171 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.505 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -94.79 -163.4 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.813 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.1 115.06 49.72 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.75 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -52.02 123.19 11.95 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.424 2.083 . . . . 0.0 112.418 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -178.52 157.95 1.04 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.43 52.85 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.58 HG22 ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER -98.07 48.88 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.052 -179.828 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 87.1 t -55.03 -35.01 33.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.97 0.414 . . . . 0.0 110.393 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.6 t -59.21 -42.51 91.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.646 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.58 ' HB2' HG22 ' A' ' 63' ' ' THR . 4.0 tp60 -59.86 -38.01 80.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.662 178.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.913 HD11 HD12 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -56.98 -47.63 80.33 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.095 179.033 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -63.05 -28.25 69.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.74 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -65.31 -49.55 69.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.359 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.632 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.67 -33.72 62.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.223 0.535 . . . . 0.0 109.656 179.308 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.457 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 43.3 t-105 -71.48 -32.15 67.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.651 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.55 -29.84 41.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.538 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.34 -26.59 57.04 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.252 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 70' ' ' HIS . 51.1 p -85.3 -37.1 20.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.733 0.301 . . . . 0.0 110.951 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.416 HD22 ' CZ2' ' A' ' 71' ' ' TRP . 0.9 OUTLIER -95.62 -59.78 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.021 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 75' ' ' LEU . 0.3 OUTLIER 38.64 -93.27 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.89 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.3 p90 177.32 137.95 0.07 Allowed 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.867 0.365 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.16 -64.97 0.52 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.4 t -146.05 93.16 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.073 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 34.1 mm -67.04 -38.67 81.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.183 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -107.09 97.93 7.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -81.54 88.27 6.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.71 -62.35 0.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 98.74 -75.05 0.54 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.427 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -73.77 117.42 15.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -101.83 -50.17 3.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -164.43 -98.68 0.13 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.594 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.66 -176.62 5.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 110.931 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 65.06 91.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 p -108.53 151.01 26.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.5 m -95.08 -32.26 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -163.1 171.88 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -93.44 -42.61 9.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.45 109.52 7.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.434 ' N ' ' HD2' ' A' ' 96' ' ' PRO . 0.0 OUTLIER -65.85 -61.04 6.15 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.993 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 95' ' ' SER . 37.6 Cg_endo -66.31 132.19 28.78 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.482 2.121 . . . . 0.0 112.255 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -52.61 45.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.805 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.38 130.92 53.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -175.37 132.98 0.3 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.101 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 m -117.34 106.56 13.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -114.93 171.69 7.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -159.04 34.05 0.21 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.833 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 63.15 138.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -144.13 -47.58 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -148.41 77.13 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.867 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.34 -44.75 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.596 2.197 . . . . 0.0 112.398 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.34 74.54 0.76 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.471 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.82 -49.89 48.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.845 0.355 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mp -73.89 120.71 19.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.62 -72.78 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.806 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -128.5 -67.88 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -134.87 155.17 51.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.31 161.89 15.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.042 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -92.02 99.67 12.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.3 m -141.62 124.9 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.79 169.18 33.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.541 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 t -89.47 -37.12 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.819 0.342 . . . . 0.0 111.054 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.95 -106.39 2.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.3 m 60.32 161.11 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.773 0.321 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.5 p -107.6 113.46 26.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.6 p -69.23 -72.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -164.85 -83.99 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.48 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm 60.18 168.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.881 0.372 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -139.96 34.19 1.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.808 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.12 91.41 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.821 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -116.57 98.98 6.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 61.62 32.32 18.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.91 52.96 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.966 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.23 152.82 23.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.856 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.534 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 31.3 p -73.42 52.28 0.37 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 26' ' ' SER . . . 168.02 -26.8 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.122 -0.944 . . . . 0.0 109.874 -178.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.81 -27.29 4.83 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.908 0.385 . . . . 0.0 110.798 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.18 -47.19 46.16 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.049 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -56.51 -39.33 73.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.043 0.449 . . . . 0.0 110.427 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -29.89 70.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.399 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.02 -38.03 78.98 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.426 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.018 HD13 HD22 ' A' ' 67' ' ' LEU . 5.8 mt -65.11 -51.17 69.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.534 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -57.73 -39.19 69.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.619 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -67.27 -40.5 86.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.167 0.508 . . . . 0.0 109.788 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.93 -50.14 62.91 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.691 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mp -59.39 -31.19 69.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.38 . . . . 0.0 110.672 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.61 -30.77 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.43 ' O ' ' CG ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -116.4 27.14 9.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.253 -179.835 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.43 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 56.7 m-85 -158.59 -146.19 0.15 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.694 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.596 ' HA ' ' HB2' ' A' ' 46' ' ' ARG . 2.3 t 45.4 83.7 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.121 0.486 . . . . 0.0 111.721 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -135.86 22.45 3.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.289 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 128.22 155.41 8.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.37 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.19 11.7 8.47 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.2 100.36 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.97 0.414 . . . . 0.0 111.211 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.596 ' HB2' ' HA ' ' A' ' 41' ' ' THR . 4.5 mmp_? -95.14 -23.33 17.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.196 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -44.33 -42.2 6.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.909 -178.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -69.61 -50.31 45.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.807 0.337 . . . . 0.0 111.168 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -50.36 73.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.987 0.422 . . . . 0.0 110.828 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.668 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.44 -37.49 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.467 179.707 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.553 ' HD2' HD23 ' A' ' 67' ' ' LEU . 3.7 t80 -56.37 -48.53 76.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.536 179.196 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -62.56 -34.53 77.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.41 -52.55 52.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.356 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.482 ' CD2' ' HA ' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -78.93 2.1 21.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.621 179.669 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.2 ttm105 -53.16 -24.96 11.91 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.749 0.309 . . . . 0.0 111.219 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 62.6 m -60.5 -26.15 66.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.725 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 80.1 t -74.84 -72.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.425 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -108.53 164.55 12.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.793 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -156.69 64.28 3.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -56.39 -166.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.628 2.218 . . . . 0.0 112.195 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.89 -34.49 59.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.994 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.23 134.0 33.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.772 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.459 ' HB ' ' CE1' ' A' ' 51' ' ' TYR . 65.6 p -101.29 169.22 9.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.015 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 63' ' ' THR . 85.5 t 70.53 -52.61 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.981 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.2 p -57.08 -46.05 82.83 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.436 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -62.89 -39.22 93.82 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.298 178.546 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.018 HD22 HD13 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -54.55 -50.25 68.38 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.017 178.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.4 ' O ' ' N ' ' A' ' 72' ' ' ARG . 5.0 m-30 -62.71 -28.38 69.91 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.903 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.11 -49.37 70.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.9 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.552 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -77.18 -29.71 54.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.137 0.494 . . . . 0.0 109.709 178.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -74.21 -29.7 61.86 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.582 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' TYR . 5.2 mtm-85 -77.97 -40.35 39.63 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.035 0.445 . . . . 0.0 110.352 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -72.2 -28.24 68.56 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.209 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.1 p -77.21 -48.2 18.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.351 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.6 mt -153.71 78.15 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.95 136.01 46.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.09 84.89 2.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.4 tttm -115.58 -55.06 2.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.446 HG23 ' N ' ' A' ' 80' ' ' ILE . 10.2 m -135.31 -48.13 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.05 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.446 ' N ' HG23 ' A' ' 79' ' ' VAL . 5.5 mt -126.84 143.54 39.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.993 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.31 84.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 62.23 150.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.978 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -133.04 85.13 2.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -135.12 -175.61 13.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.444 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -110.06 119.27 38.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.836 0.35 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.45 79.91 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -75.66 85.65 0.85 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.637 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.83 165.93 9.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.36 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.1 t30 60.49 91.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.97 140.82 48.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.3 m -145.24 157.11 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.061 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -161.74 177.62 9.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -111.34 86.25 2.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.166 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? 62.75 -80.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.048 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.6 p -121.38 101.96 43.26 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -51.57 -179.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.483 2.122 . . . . 0.0 112.213 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -158.3 -74.15 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.47 -42.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.936 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -148.46 -68.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.52 -69.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -136.96 -63.09 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.05 -52.13 0.67 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 178.73 131.98 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.74 36.33 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.94 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -118.27 34.4 5.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.056 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.03 150.87 67.19 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.638 2.225 . . . . 0.0 112.325 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 135.75 70.36 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.437 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 t -154.95 -49.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.7 mp -92.74 -49.03 6.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.2 t 60.76 175.41 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -105.62 128.58 53.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.3 71.61 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.822 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.04 72.26 1.34 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -135.25 -47.08 0.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.812 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.592 ' O ' HG13 ' A' ' 11' ' ' VAL . 10.4 p -111.27 107.98 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.058 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.32 -34.56 1.39 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.495 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.72 -52.27 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 111.188 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.58 -170.19 11.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 t 42.89 89.5 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.928 0.394 . . . . 0.0 111.52 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.31 -173.17 1.04 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 m 61.22 155.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.21 -37.95 0.98 Allowed Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -87.44 109.29 19.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.855 0.36 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -105.14 138.73 40.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -143.09 34.0 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.02 109.93 13.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 1.3 p90 -140.93 -60.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER 63.25 -85.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.22 179.777 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' A' ' 27' ' ' ALA . 1.8 m-85 61.85 137.99 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.08 63.48 0.33 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 25' ' ' PHE . . . 60.87 23.92 13.93 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.009 -178.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.413 ' HB3' ' CD1' ' A' ' 25' ' ' PHE . 14.3 p -53.08 -24.51 10.25 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.355 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.542 ' HG3' ' CZ2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -79.58 -52.46 7.97 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.214 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.31 -28.94 70.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.347 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.423 ' O ' HG13 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -71.17 -29.52 65.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.566 179.728 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.29 -36.62 58.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.572 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.708 HD13 HD22 ' A' ' 67' ' ' LEU . 5.4 mt -71.61 -42.2 71.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.716 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 31' ' ' GLU . 2.2 pp -66.52 -39.1 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.336 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -73.54 -36.89 65.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.813 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.444 ' HA3' HD11 ' A' ' 50' ' ' ILE . . . -64.89 -52.18 44.52 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.719 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.677 HD12 HG21 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -60.27 -36.88 78.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.806 0.336 . . . . 0.0 110.458 179.523 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.64 -24.67 67.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.419 ' O ' ' CD1' ' A' ' 40' ' ' PHE . 1.4 tmt_? -121.23 26.98 8.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.182 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 39' ' ' ARG . 28.7 m-85 -155.99 88.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.956 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.495 HG22 ' HG2' ' A' ' 46' ' ' ARG . 1.3 p -148.28 75.67 1.34 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.32 -34.63 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.959 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.03 -167.46 21.44 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.706 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.21 30.22 3.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.7 0.286 . . . . 0.0 110.842 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.14 69.82 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.999 0.428 . . . . 0.0 110.725 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.495 ' HG2' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER -77.32 -32.34 55.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.986 -179.774 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.405 ' O ' HG22 ' A' ' 50' ' ' ILE . 27.9 m-85 -60.46 -46.09 91.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.257 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.15 -53.32 17.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.018 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.74 -47.31 82.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.325 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.803 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -61.72 -39.93 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.179 -179.701 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.473 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 86.5 t80 -58.54 -43.22 89.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -68.23 -34.41 76.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.347 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.75 -52.53 24.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.895 0.379 . . . . 0.0 111.169 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.473 ' CD2' ' HA ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -78.72 -1.45 34.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.262 179.478 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -53.41 -23.92 11.1 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.74 0.305 . . . . 0.0 111.364 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.0 m -53.86 -28.37 35.57 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.8 0.333 . . . . 0.0 110.917 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.21 -63.85 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.054 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.542 ' CZ2' ' HG3' ' A' ' 29' ' ' GLU . 74.4 m95 -109.47 108.21 18.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -124.53 60.0 22.95 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.86 -172.43 0.83 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.588 2.192 . . . . 0.0 112.373 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.71 146.27 46.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 60.12 109.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.423 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 2.3 t -89.26 158.06 17.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.448 ' CG1' ' CZ ' ' A' ' 68' ' ' TYR . 70.6 t 70.2 -52.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.576 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -42.18 81.91 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.36 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.46 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 42.5 mm-40 -63.83 -39.07 93.36 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.203 178.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.708 HD22 HD13 ' A' ' 33' ' ' ILE . 2.0 tm? -55.64 -50.44 70.2 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.979 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.448 ' CZ ' ' CG1' ' A' ' 64' ' ' VAL . 9.5 m-30 -61.46 -28.6 69.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.974 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -64.97 -49.36 70.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.431 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.588 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -75.71 -32.41 60.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.022 0.439 . . . . 0.0 109.98 179.551 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.541 ' HZ3' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -74.93 -27.71 60.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.8 179.673 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.3 -37.51 37.54 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 120.94 0.4 . . . . 0.0 110.591 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -75.81 -28.88 60.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.273 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.1 m -77.73 -49.72 13.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 0.0 110.781 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.541 HD22 ' HZ3' ' A' ' 71' ' ' TRP . 3.4 tp -82.11 -62.68 1.56 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 61.47 31.42 19.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.802 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -134.54 83.88 2.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -60.23 3.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t 59.48 105.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.487 HG23 ' N ' ' A' ' 81' ' ' GLN . 1.6 tt -163.75 -44.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.487 ' N ' HG23 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -85.18 144.22 28.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 60.72 110.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -63.79 -61.53 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.13 152.79 4.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.541 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -114.41 166.59 11.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.807 0.337 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -151.55 63.83 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.02 103.67 1.51 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -115.54 96.54 5.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -131.41 80.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 t -132.96 179.39 6.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.1 p -86.52 152.82 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 61.26 114.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -100.59 131.46 46.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -139.33 -46.34 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.4 159.62 80.04 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.13 159.22 4.26 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.584 2.189 . . . . 0.0 112.39 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.55 -45.26 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -79.04 -40.64 30.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.13 114.39 4.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.8 m -153.0 156.92 39.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -99.61 37.3 1.62 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.8 ptt? -127.37 160.11 32.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -169.38 -52.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -131.33 164.22 26.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -80.48 124.7 29.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.31 -0.853 . . . . 0.0 110.848 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.84 94.54 0.54 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.569 2.179 . . . . 0.0 112.271 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 156.76 55.62 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.516 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -75.73 105.26 6.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.825 0.345 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 tp -140.66 93.56 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.63 129.73 7.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -162.08 -61.7 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' A' ' 9' ' ' ALA . 42.6 p90 -150.98 -47.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.441 ' N ' ' CD1' ' A' ' 8' ' ' PHE . . . -124.18 143.46 50.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -140.11 31.61 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.981 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -151.72 124.89 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.27 129.49 6.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.461 HG23 ' N ' ' A' ' 14' ' ' GLY . 15.3 m -139.71 -46.6 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 111.151 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.461 ' N ' HG23 ' A' ' 13' ' ' VAL . . . -158.14 112.13 0.51 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.454 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.71 165.03 17.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.756 0.313 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 m 60.42 87.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 t -154.14 36.12 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.817 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.26 39.78 0.5 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.518 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -138.88 83.47 1.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.6 tp60 -139.87 146.63 39.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.72 108.66 21.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.709 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.401 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 3.9 tpt180 -149.4 31.95 0.73 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.239 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.401 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 71.9 m-85 -156.87 -118.2 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.37 27.76 1.47 Allowed 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.927 0.394 . . . . 0.0 111.205 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -62.11 153.16 30.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.727 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.541 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 22.9 t -71.47 54.67 0.22 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 26' ' ' SER . . . 166.3 -26.75 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.047 -0.978 . . . . 0.0 109.782 -178.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.0 -29.19 19.73 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.442 ' HG2' ' CZ2' ' A' ' 58' ' ' TRP . 0.4 OUTLIER -56.77 -48.98 76.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.044 179.85 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -56.53 -31.79 64.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.793 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.424 ' HA ' ' CG1' ' A' ' 34' ' ' ILE . 12.8 mt-10 -70.12 -29.66 66.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.714 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.29 -35.71 61.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.554 HG21 HD11 ' A' ' 67' ' ' LEU . 7.2 mt -74.44 -40.85 49.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.753 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.62 HD12 ' N ' ' A' ' 35' ' ' LYS . 2.8 pp -66.99 -35.54 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.261 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.62 ' N ' HD12 ' A' ' 34' ' ' ILE . 7.2 mttp -70.58 -34.94 72.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.94 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.6 -30.3 62.28 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.458 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.677 HD23 ' HG3' ' A' ' 46' ' ' ARG . 2.6 mt -77.79 -31.83 52.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 111.033 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.16 -10.97 51.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 0.0 112.013 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -100.37 -47.08 5.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.659 0.266 . . . . 0.0 111.522 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -142.4 141.25 32.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.242 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.458 HG22 ' HG3' ' A' ' 46' ' ' ARG . 77.2 p -157.42 31.55 0.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.826 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.14 73.7 0.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.655 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 45' ' ' GLN . . . -172.44 168.04 41.05 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.44 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.635 ' O ' ' HB2' ' A' ' 45' ' ' GLN . 6.4 mt-30 -62.25 84.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.635 ' HB2' ' O ' ' A' ' 44' ' ' GLN . 8.8 mt-30 80.0 99.34 0.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.796 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.677 ' HG3' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -73.49 -29.25 62.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.051 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.65 ' CE1' HD21 ' A' ' 37' ' ' LEU . 66.8 m-85 -59.81 -50.04 75.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 0.0 111.1 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -66.11 -39.23 89.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.977 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -57.84 -50.41 73.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.58 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.516 HG21 ' HA ' ' A' ' 33' ' ' ILE . 26.2 mt -59.05 -42.83 87.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.506 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.829 ' CD1' HD23 ' A' ' 67' ' ' LEU . 68.1 t80 -56.28 -41.87 76.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.725 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.437 ' O ' ' CG ' ' A' ' 55' ' ' ARG . 3.8 m-85 -68.56 -32.5 72.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.371 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.72 -53.07 9.11 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.369 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.503 ' CD2' ' HA ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -80.3 6.2 12.66 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.88 179.189 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 52' ' ' TYR . 4.7 ppt_? -52.74 -25.53 11.44 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 122.203 -0.31 . . . . 0.0 111.489 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -20.42 53.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 111.051 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.9 t -81.82 -69.32 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.499 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.513 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -78.72 -84.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.714 -179.135 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.466 ' HA ' ' HD3' ' A' ' 60' ' ' PRO . 1.8 t60 -159.89 145.72 11.74 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-O 120.703 0.287 . . . . 0.0 111.52 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 59' ' ' HIS . 3.9 Cg_exo -80.37 -157.27 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.041 2.494 . . . . 0.0 112.147 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 64.0 167.69 0.16 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.435 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 52.4 mtp85 -62.57 117.23 5.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.82 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.735 HG22 ' HB2' ' A' ' 66' ' ' GLN . 4.6 m -158.56 28.09 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.076 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.7 t -58.8 -29.14 39.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.634 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.43 -47.27 84.48 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.035 0.445 . . . . 0.0 110.009 179.323 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.735 ' HB2' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -60.58 -39.07 86.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.837 179.037 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.829 HD23 ' CD1' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -56.63 -48.62 77.11 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.272 179.198 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -63.37 -28.25 69.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.834 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -49.4 65.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.377 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.568 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -75.89 -31.01 59.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.075 0.464 . . . . 0.0 109.804 179.238 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.437 ' CZ2' HD13 ' A' ' 37' ' ' LEU . 33.5 t-105 -75.08 -31.92 61.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.687 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -79.35 -31.95 43.15 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.917 0.389 . . . . 0.0 110.493 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.81 -29.62 54.28 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.122 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.0 p -81.27 -38.08 27.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.765 0.317 . . . . 0.0 110.825 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.8 -67.69 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 59.82 169.74 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -140.36 -50.65 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.0 175.27 1.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.8 m -63.0 175.29 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.483 HD12 ' N ' ' A' ' 80' ' ' ILE . 3.8 mp -127.08 89.46 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.055 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -77.81 174.73 10.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -99.13 32.29 2.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.91 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -135.92 97.68 3.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -126.38 169.11 18.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -64.43 -66.28 0.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.4 mtt85 -149.44 100.6 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.75 126.05 1.98 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.559 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.7 tttt 60.0 32.64 21.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.865 0.364 . . . . 0.0 110.934 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -87.71 115.05 24.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.4 m -129.06 96.62 4.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 29.4 m -156.55 132.62 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.142 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -130.87 32.73 4.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.076 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -139.63 88.45 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.008 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -98.14 30.53 3.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.9 t -123.71 149.52 59.35 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.962 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -51.97 163.48 1.42 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.56 2.173 . . . . 0.0 112.353 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.55 107.35 13.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.04 155.35 37.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.27 106.18 3.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.123 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.27 -50.29 3.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -91.84 141.48 28.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -103.53 165.18 11.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.82 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -161.21 57.94 0.29 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 60.39 167.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 60.28 32.7 20.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.13 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.28 -20.32 37.27 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.575 2.183 . . . . 0.0 112.505 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.62 -44.79 86.12 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.648 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.5 t -131.86 129.59 40.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 110.947 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.94 128.68 6.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.96 146.27 35.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -152.35 154.47 35.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -175.66 153.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.81 132.62 45.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -102.38 157.22 17.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.3 m -123.22 166.68 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.184 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -104.61 -163.53 24.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.458 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 14' ' ' GLY . 11.0 p -160.32 -44.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 111.032 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.487 ' N ' HG13 ' A' ' 13' ' ' VAL . . . 89.84 -175.54 41.93 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.563 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.0 m 60.39 82.51 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.808 0.337 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.1 p -123.84 143.5 50.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.5 m 60.47 169.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.25 -132.4 4.98 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.453 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -137.23 158.56 44.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.826 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -156.13 170.4 22.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 tptt 61.69 91.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -135.99 104.14 5.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -141.77 -63.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.026 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -121.77 57.98 1.02 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.101 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.459 ' HB3' ' CB ' ' A' ' 28' ' ' SER . 45.3 t80 -64.55 152.51 41.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.554 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 5.4 p -72.63 52.78 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 26' ' ' SER . . . 166.28 -25.33 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.054 -178.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.459 ' CB ' ' HB3' ' A' ' 25' ' ' PHE . 1.3 m -50.9 -40.54 57.0 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-O 120.968 0.413 . . . . 0.0 110.774 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.431 ' HG2' ' CD2' ' A' ' 58' ' ' TRP . 1.4 pp20? -63.06 -52.32 63.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.629 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.87 -33.63 70.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.589 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.41 ' HA ' HG22 ' A' ' 34' ' ' ILE . 39.7 mt-10 -70.34 -30.55 67.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.416 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.5 -37.69 74.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.566 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.852 HD13 HD22 ' A' ' 67' ' ' LEU . 6.2 mt -66.67 -48.72 79.34 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.618 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.41 HG22 ' HA ' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -59.0 -38.23 72.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.629 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -69.93 -35.3 74.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.109 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.65 -36.82 53.14 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.145 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.791 HD21 ' CE2' ' A' ' 47' ' ' PHE . 5.6 mp -73.16 -27.1 61.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.705 0.288 . . . . 0.0 110.849 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.59 -21.54 32.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.406 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.03 -56.34 2.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.974 0.416 . . . . 0.0 111.157 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.726 ' O ' HG23 ' A' ' 41' ' ' THR . 33.7 m-85 -84.73 117.06 23.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.904 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.726 HG23 ' O ' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -172.05 84.8 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.13 32.07 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.09 -175.0 26.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.555 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.52 -46.58 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.83 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -116.36 71.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.788 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -76.41 -24.1 54.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.103 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.791 ' CE2' HD21 ' A' ' 37' ' ' LEU . 95.6 m-85 -53.66 -46.91 70.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.334 . . . . 0.0 111.525 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -70.29 -46.68 63.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.326 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.59 -50.53 72.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.994 0.426 . . . . 0.0 110.599 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.839 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -60.51 -37.52 75.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.338 179.435 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.645 ' HD2' HD23 ' A' ' 67' ' ' LEU . 49.0 t80 -54.49 -45.84 73.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.65 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -68.21 -34.02 75.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.768 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.8 -52.14 47.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.49 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.499 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -78.28 -2.36 37.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.57 -179.923 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.18 84.98 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.735 0.302 . . . . 0.0 111.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER 176.69 38.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.823 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.446 HG23 ' N ' ' A' ' 58' ' ' TRP . 10.3 m -136.08 -46.73 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.446 ' N ' HG23 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -112.91 177.53 4.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -120.59 63.18 10.23 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.03 152.48 57.09 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.628 2.218 . . . . 0.0 112.271 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.67 -41.2 18.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.07 138.88 54.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.416 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 1.7 t -89.0 155.22 19.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.941 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.416 ' HB ' ' O ' ' A' ' 63' ' ' THR . 81.1 t 70.42 -52.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.623 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -43.0 98.14 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.438 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.454 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 9.0 mm100 -64.97 -39.06 92.91 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.065 178.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.852 HD22 HD13 ' A' ' 33' ' ' ILE . 2.4 tm? -55.36 -49.18 72.93 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.034 178.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.402 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 4.3 m-30 -63.82 -28.37 69.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.986 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -67.09 -47.71 70.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.006 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.591 ' O ' HG23 ' A' ' 74' ' ' THR . 0.0 OUTLIER -77.31 -30.96 54.33 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 178.856 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -72.74 -33.79 66.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.664 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 68' ' ' TYR . 6.6 tpp85 -75.81 -43.37 46.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.013 0.435 . . . . 0.0 110.032 179.332 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.95 -28.91 74.05 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.971 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 70' ' ' HIS . 17.6 p -77.11 -38.69 51.69 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.881 0.372 . . . . 0.0 110.591 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.538 HD12 ' C ' ' A' ' 74' ' ' THR . 4.2 mp -153.83 78.32 1.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 77' ' ' TYR . 14.2 ttm180 -76.95 -72.14 0.36 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.41 ' CG ' ' O ' ' A' ' 76' ' ' ARG . 53.9 p90 43.69 31.05 0.42 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.452 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -93.33 81.78 4.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.0 m -117.65 -39.12 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.561 ' H ' HD12 ' A' ' 80' ' ' ILE . 3.6 mp -69.47 -51.54 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 62.12 150.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -148.66 -47.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.11 148.04 40.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -123.55 -107.29 1.81 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.516 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -94.89 160.9 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.755 0.312 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.03 31.14 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.78 -163.59 10.76 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.508 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.54 -41.17 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.859 0.361 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -155.56 117.83 4.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -148.24 -68.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.3 m -146.21 156.03 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -119.69 165.88 13.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.35 30.93 6.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.1 tpp85 -61.56 -64.24 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.409 ' CB ' ' HD3' ' A' ' 96' ' ' PRO . 0.6 OUTLIER -89.13 -53.15 0.34 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.409 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 53.2 Cg_exo -54.63 152.68 26.56 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.517 2.145 . . . . 0.0 112.365 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -177.23 103.66 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.801 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.83 166.25 17.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -125.64 31.82 5.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.2 t -125.74 -44.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.08 165.43 29.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.81 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.3 ttt -68.94 150.95 47.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.49 134.02 38.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -147.36 -46.47 0.17 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.8 m120 63.3 170.26 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.969 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.919 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.49 160.53 49.19 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.578 2.185 . . . . 0.0 112.279 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.88 131.47 3.94 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.563 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.1 81.16 0.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 pp -131.0 179.89 5.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.84 94.6 3.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -148.58 160.92 42.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -140.52 137.09 33.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.76 86.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.061 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -127.66 68.28 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.554 ' O ' HG12 ' A' ' 11' ' ' VAL . 12.8 t -140.71 33.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.08 106.49 3.07 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.7 p -74.5 127.75 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 0.0 111.088 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.94 83.38 0.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.04 -54.99 7.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.694 0.283 . . . . 0.0 110.867 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.08 -179.63 2.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -149.58 -62.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.814 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -145.75 -59.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -158.34 167.8 28.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -163.09 153.68 16.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.766 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.04 -58.72 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 115.2 4.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -177.43 96.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.15 41.13 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.64 152.61 14.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.851 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.561 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 5.3 p -72.83 52.9 0.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.104 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.561 ' HB2' ' O ' ' A' ' 26' ' ' SER . . . 165.19 -25.45 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.066 -178.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.2 -34.16 30.65 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.834 0.35 . . . . 0.0 110.754 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' O ' HG13 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -58.76 -47.01 86.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.796 179.761 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.43 -45.73 80.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.786 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.438 ' O ' HG13 ' A' ' 34' ' ' ILE . 1.9 tm-20 -61.23 -29.51 69.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.56 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.75 -30.03 61.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.622 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.785 HD13 HD21 ' A' ' 67' ' ' LEU . 1.4 mt -72.43 -46.54 55.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.653 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.747 HD12 ' N ' ' A' ' 35' ' ' LYS . 2.8 pp -63.24 -39.92 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.257 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.747 ' N ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -66.96 -33.65 76.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.893 178.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.534 ' HA3' HD11 ' A' ' 50' ' ' ILE . . . -73.64 -41.7 42.4 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.793 -0.717 . . . . 0.0 111.889 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.472 HD12 HG21 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -68.68 -22.94 64.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.929 0.395 . . . . 0.0 110.673 179.558 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.72 -28.84 36.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.61 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -99.0 -63.14 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 111.784 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.579 ' O ' HG23 ' A' ' 41' ' ' THR . 1.7 p90 -104.17 125.31 50.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.215 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.605 HG22 ' HB3' ' A' ' 46' ' ' ARG . 1.4 p -162.03 85.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.933 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -46.83 -40.15 13.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.286 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.22 -36.62 3.64 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.737 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -26.72 8.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.872 0.367 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -157.75 -66.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.64 179.856 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.605 ' HB3' HG22 ' A' ' 41' ' ' THR . 4.5 mtp85 87.86 -38.36 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -75.65 -50.45 15.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.082 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -70.72 -45.55 64.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -50.71 72.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.007 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.745 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -61.16 -37.73 78.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.044 0.449 . . . . 0.0 110.243 179.474 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.534 ' CD1' HD23 ' A' ' 67' ' ' LEU . 17.2 t80 -55.83 -49.41 73.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.442 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.421 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . 62.9 m-85 -68.28 -24.44 64.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.05 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.07 -52.39 24.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.774 0.321 . . . . 0.0 111.552 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.768 ' O ' HG12 ' A' ' 57' ' ' VAL . 1.7 p90 -78.73 0.46 26.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.892 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.421 ' HG3' ' HA ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -53.61 -22.81 9.34 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.55 0.214 . . . . 0.0 111.463 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 t -69.24 -34.42 74.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.675 0.274 . . . . 0.0 111.317 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.768 HG12 ' O ' ' A' ' 54' ' ' TYR . 10.9 p -84.34 -24.84 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.47 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -107.62 165.97 11.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.965 0.412 . . . . 0.0 111.121 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -64.39 114.65 14.97 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.142 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.403 ' HA ' ' HD2' ' A' ' 55' ' ' ARG . 31.6 Cg_exo -59.51 123.65 13.8 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.489 2.126 . . . . 0.0 112.273 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 179.84 136.81 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.02 104.38 0.3 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.802 HG22 ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER -156.11 41.59 0.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.062 -179.85 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.27 -34.7 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.965 0.412 . . . . 0.0 110.627 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.2 m -57.77 -42.68 84.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.173 0.511 . . . . 0.0 109.802 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.802 ' HB2' HG22 ' A' ' 63' ' ' THR . 16.0 tt0 -61.14 -32.17 71.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.037 178.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.785 HD21 HD13 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -62.69 -51.42 67.26 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.074 179.732 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -61.84 -27.9 69.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.059 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 66' ' ' GLN . 6.8 m-20 -67.28 -49.57 63.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.828 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.735 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.1 p-80 -80.5 -18.41 48.64 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.04 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.586 ' CZ3' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -85.58 -32.88 21.87 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 178.181 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.41 -32.24 54.6 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.29 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.46 -36.23 17.63 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.211 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.544 HG22 ' HA ' ' A' ' 71' ' ' TRP . 15.0 t -69.86 -45.53 67.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.731 0.3 . . . . 0.0 110.759 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.681 HD13 ' O ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -64.38 -30.06 71.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.6 mmm-85 -108.92 -177.37 3.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -142.56 171.42 14.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.22 165.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.5 m -139.27 174.83 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.3 pt -118.4 147.75 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.33 118.41 29.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -137.61 169.55 17.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.29 146.11 28.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.964 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.9 128.06 0.82 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -85.72 -74.45 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.337 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -151.99 28.74 0.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 57.38 -155.4 18.18 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.548 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.1 179.65 3.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -64.36 145.44 56.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.4 m -96.81 174.32 6.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.5 t 60.66 100.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -98.29 159.67 14.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -96.37 84.38 3.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.095 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.37 -47.89 3.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 86.9 p -74.74 111.27 12.43 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.71 174.11 9.93 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.426 2.084 . . . . 0.0 112.325 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -139.14 120.47 14.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.0 pttt -149.79 -47.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -115.82 108.77 16.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.048 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.27 148.12 44.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 67.04 -73.63 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 13.0 ptt? -136.68 170.39 16.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -141.99 -61.43 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -60.46 143.64 52.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -89.72 -179.79 5.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.958 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 112.588 -0.205 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.34 147.11 58.43 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.606 2.204 . . . . 0.0 112.307 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.99 179.95 37.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.508 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.9 m -116.34 -37.91 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 110.939 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tp 62.27 31.63 17.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.09 85.62 2.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 61.05 -179.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -104.24 -49.97 3.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.04 -179.25 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.151 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -164.95 -65.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.979 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 m -133.0 148.03 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.07 169.47 25.09 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 14' ' ' GLY . 12.1 m -151.87 -46.38 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 0.0 111.09 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.428 ' N ' HG23 ' A' ' 13' ' ' VAL . . . 100.55 -28.71 14.61 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.497 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.8 t -162.61 126.37 2.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.816 0.341 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.2 m -98.65 34.38 2.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.6 p -149.49 143.8 25.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -135.86 54.49 0.74 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.445 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.35 127.24 52.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.67 85.18 1.69 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -162.61 31.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -123.2 38.62 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.785 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -102.01 79.54 1.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.799 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.9 tttt 57.8 35.4 25.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.417 ' HB3' ' CB ' ' A' ' 28' ' ' SER . 18.0 t80 -58.93 154.8 14.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.982 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.576 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 2.3 m -72.37 54.5 0.32 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.311 0.577 . . . . 0.0 109.52 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 26' ' ' SER . . . 163.15 -24.57 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.007 -178.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.417 ' CB ' ' HB3' ' A' ' 25' ' ' PHE . 10.9 t -56.35 -23.11 35.26 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.087 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.01 -50.18 67.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.593 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -56.29 -31.8 64.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.685 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.428 ' HA ' HG12 ' A' ' 34' ' ' ILE . 35.3 mt-10 -70.45 -32.47 70.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.456 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.7 -32.7 65.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.178 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' A' ' 30' ' ' ASP . 3.4 mt -73.79 -40.06 53.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.576 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.428 HG12 ' HA ' ' A' ' 31' ' ' GLU . 31.9 pt -64.32 -41.07 91.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.634 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.423 ' N ' HG13 ' A' ' 34' ' ' ILE . 3.8 mtpt -66.34 -43.96 84.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.131 0.491 . . . . 0.0 109.76 179.278 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.609 ' HA3' HD11 ' A' ' 50' ' ' ILE . . . -62.72 -48.65 79.63 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.576 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.582 HD12 HG21 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -54.91 -35.4 64.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.787 0.327 . . . . 0.0 110.592 179.498 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.18 -30.23 70.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.976 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.409 ' O ' ' CD1' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -116.58 18.85 14.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.512 -179.835 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.616 ' O ' HG23 ' A' ' 41' ' ' THR . 44.1 m-85 -149.23 106.18 3.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.908 0.385 . . . . 0.0 110.846 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 40' ' ' PHE . 2.7 p -163.3 76.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.751 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.1 mmmt -125.38 43.38 3.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.014 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.9 -174.08 43.46 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.479 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -98.7 30.5 3.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -151.47 39.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.732 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.434 ' O ' HG22 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.59 -28.86 65.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.239 -179.877 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.406 ' O ' HG22 ' A' ' 50' ' ' ILE . 84.3 m-85 -62.01 -50.46 71.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.99 0.424 . . . . 0.0 111.196 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.59 -46.2 63.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.812 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -59.4 -50.43 73.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.96 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.803 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -60.75 -38.07 77.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.086 0.47 . . . . 0.0 110.455 179.602 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.999 ' CD1' HD23 ' A' ' 67' ' ' LEU . 17.6 t80 -54.17 -50.94 65.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.006 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -68.18 -29.09 67.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.129 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.86 -52.58 28.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 0.0 111.088 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.502 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -79.35 6.14 10.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.812 179.497 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 26.5 ptt180 -52.94 113.12 0.99 Allowed 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 121.177 0.513 . . . . 0.0 111.097 -179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 169.72 -36.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.051 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.487 HG23 ' HE1' ' A' ' 54' ' ' TYR . 13.3 m -99.19 15.47 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.991 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.411 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.6 OUTLIER 179.06 135.74 0.09 Allowed 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.49 -179.631 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -168.11 76.5 0.87 Allowed Pre-proline 0 C--N 1.331 -0.221 0 CA-C-O 120.703 0.287 . . . . 0.0 111.376 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.414 ' HG3' ' CB ' ' A' ' 66' ' ' GLN . 83.1 Cg_endo -83.05 -160.72 0.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.754 2.303 . . . . 0.0 112.24 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.621 ' O ' HG23 ' A' ' 63' ' ' THR . . . -65.81 -81.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.785 0.326 . . . . 0.0 111.697 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.423 ' HB2' ' HB3' ' A' ' 65' ' ' SER . 29.4 mmt85 -60.44 -24.83 65.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.376 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 61' ' ' ALA . 14.6 p 61.13 -85.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.789 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.492 ' N ' ' OG1' ' A' ' 63' ' ' THR . 4.8 t -49.29 -33.34 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.754 0.312 . . . . 0.0 110.76 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.423 ' HB3' ' HB2' ' A' ' 62' ' ' ARG . 5.2 t -67.62 -39.77 84.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.062 179.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.414 ' CB ' ' HG3' ' A' ' 60' ' ' PRO . 2.9 tp60 -65.53 -32.54 74.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.094 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.999 HD23 ' CD1' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -65.09 -51.03 63.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.239 179.7 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -61.71 -28.33 69.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.192 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -71.55 -49.81 37.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.223 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.633 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.2 p-80 -81.04 -15.28 56.55 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.239 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.72 ' CZ3' HD23 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -86.75 -33.33 20.0 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.918 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.78 -31.84 52.14 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 121.032 0.444 . . . . 0.0 110.091 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.02 -40.56 16.35 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.173 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.8 m -67.43 -42.2 83.56 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 120.811 0.339 . . . . 0.0 110.718 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.72 HD23 ' CZ3' ' A' ' 71' ' ' TRP . 0.4 OUTLIER -57.34 -36.98 71.83 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.924 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -156.86 138.34 13.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -156.78 -49.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.92 123.87 38.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.3 114.6 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.163 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.5 pt -115.2 138.82 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.038 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -98.65 -31.47 11.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -103.9 164.92 11.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -108.96 162.16 14.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 154.86 113.54 0.48 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -129.95 108.05 9.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -168.37 140.09 2.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.982 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -176.93 166.87 37.88 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.532 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -170.01 141.16 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.787 0.327 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -124.47 -43.84 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -108.05 -46.95 3.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.3 p -174.43 -40.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 64.95 -75.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.256 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 61.36 97.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.061 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.96 -19.64 12.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.186 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.7 m 63.79 79.26 0.26 Allowed Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.7 -166.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.585 2.19 . . . . 0.0 112.256 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -149.34 128.81 13.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -160.32 51.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -161.68 135.37 6.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 t -80.91 109.51 15.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -132.02 100.15 4.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.8 mtt -152.41 140.92 20.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -109.1 -28.11 9.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 34.0 m120 61.67 102.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.003 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -150.83 167.69 26.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.947 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.03 -41.69 62.88 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.557 2.171 . . . . 0.0 112.313 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -128.68 167.68 20.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.5 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -148.22 156.53 42.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.359 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.455 ' H ' HD23 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -110.54 175.63 5.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 p -101.89 173.17 6.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.35 31.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -125.09 30.16 5.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -176.03 37.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.076 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -134.87 -51.94 0.79 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.95 -30.79 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.058 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.63 107.08 0.98 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.551 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.2 m -126.28 171.7 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 111.174 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.35 166.54 2.23 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.1 m -88.57 -58.61 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.7 m -113.87 -36.39 4.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.5 m -59.65 134.56 57.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -163.11 149.34 16.89 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.409 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -112.4 177.69 4.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.777 0.322 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.92 -176.88 5.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -173.18 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 60.99 169.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 2.0 p90 -143.78 111.56 6.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.824 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -85.19 -87.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.451 ' O ' ' N ' ' A' ' 27' ' ' ALA . 4.9 m-85 60.46 139.86 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.677 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.579 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.8 OUTLIER -68.17 68.49 0.13 Allowed 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.445 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 26' ' ' SER . . . 79.33 -1.96 2.21 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.964 -178.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t 79.08 -29.8 0.15 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.491 ' O ' HG13 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -83.13 -43.79 15.83 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.246 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.43 ' O ' HG23 ' A' ' 34' ' ' ILE . 20.3 t0 -64.16 -30.31 71.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.276 179.178 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' CB ' ' CD2' ' A' ' 25' ' ' PHE . 2.3 mm-40 -70.52 -29.58 66.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.524 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.99 -37.63 58.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.778 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.542 HG22 ' CD1' ' A' ' 37' ' ' LEU . 2.1 mt -72.16 -39.92 65.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.81 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.765 HD12 ' N ' ' A' ' 35' ' ' LYS . 2.8 pp -67.01 -39.08 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.516 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.765 ' N ' HD12 ' A' ' 34' ' ' ILE . 30.8 tttt -73.69 -39.53 64.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.161 0.505 . . . . 0.0 109.777 178.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.424 ' HA3' ' CG1' ' A' ' 50' ' ' ILE . . . -66.55 -44.24 90.43 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.347 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.542 ' CD1' HG22 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -69.54 -31.77 70.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.342 . . . . 0.0 110.559 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.52 -26.16 67.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.169 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.53 -30.52 8.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.563 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.693 ' O ' HG23 ' A' ' 41' ' ' THR . 68.4 m-85 -110.39 132.86 53.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.849 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -168.93 -39.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.5 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.4 66.7 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.0 0.428 . . . . 0.0 110.761 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.19 163.22 35.88 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.616 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.434 ' O ' ' CB ' ' A' ' 45' ' ' GLN . 24.8 tp60 -63.99 81.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.731 0.301 . . . . 0.0 110.319 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.434 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER 80.67 105.93 0.07 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.904 -179.704 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.486 ' HB3' ' HA ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -90.28 -24.46 20.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.33 -179.904 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.506 ' CE1' HD21 ' A' ' 37' ' ' LEU . 6.5 m-85 -65.97 -48.21 72.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.19 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.568 ' HG3' HG21 ' A' ' 64' ' ' VAL . 5.4 tt0 -70.14 -48.0 59.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.076 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -60.45 -50.23 74.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.268 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.78 HD13 ' O ' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -59.7 -40.51 82.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.954 0.407 . . . . 0.0 111.11 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.888 ' CD1' HD23 ' A' ' 67' ' ' LEU . 40.3 t80 -60.18 -38.25 82.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.793 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -68.36 -39.19 81.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.63 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.59 -53.1 38.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.862 0.363 . . . . 0.0 111.077 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.498 ' O ' ' CD1' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -79.78 4.84 15.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.665 179.475 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.491 ' CB ' ' HB2' ' A' ' 61' ' ' ALA . 2.3 ppt_? -52.86 -23.96 8.1 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.591 0.234 . . . . 0.0 111.432 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.44 -24.34 30.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.712 0.292 . . . . 0.0 110.884 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 58' ' ' TRP . 79.8 t -102.57 158.07 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.03 0.443 . . . . 0.0 111.089 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.482 ' N ' HG12 ' A' ' 57' ' ' VAL . 10.1 t90 67.71 -71.07 0.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.385 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -166.16 174.87 2.55 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.008 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -52.21 -174.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.597 2.198 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.491 ' HB2' ' CB ' ' A' ' 55' ' ' ARG . . . -113.45 48.24 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.317 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -120.71 47.27 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.676 HG22 ' OH ' ' A' ' 51' ' ' TYR . 11.5 t -165.72 48.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.568 HG21 ' HG3' ' A' ' 48' ' ' GLN . 95.3 t -51.23 -30.96 10.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.973 0.416 . . . . 0.0 110.0 179.187 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.6 m -59.66 -43.6 93.89 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.436 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 12.5 mt-30 -60.09 -36.95 78.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.418 178.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.888 HD23 ' CD1' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -55.03 -50.09 69.93 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.106 178.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.409 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 5.1 m-30 -62.18 -29.54 70.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.704 178.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.37 -49.86 69.97 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.487 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.604 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.68 -31.91 62.04 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.064 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.401 ' CH2' HD22 ' A' ' 75' ' ' LEU . 10.2 t90 -68.0 -29.1 68.04 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.128 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 68' ' ' TYR . 0.2 OUTLIER -79.28 -36.62 39.49 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.063 0.458 . . . . 0.0 109.9 179.032 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.81 -28.23 73.25 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.245 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.1 p -82.66 -45.46 14.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.932 0.396 . . . . 0.0 110.905 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.401 HD22 ' CH2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -100.09 -67.18 0.86 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 67.48 -74.13 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -102.72 152.91 20.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.917 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.3 mtmm -79.81 121.91 25.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.554 ' O ' HG13 ' A' ' 79' ' ' VAL . 14.6 p -102.48 114.52 42.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.064 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.9 mp -71.34 133.9 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.203 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -81.28 -36.56 29.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.977 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.9 pm0 -84.09 166.94 17.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -76.0 164.89 25.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -165.71 -168.41 27.84 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -103.62 93.86 5.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.893 0.378 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.73 -35.32 17.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 156.55 97.96 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.59 92.51 6.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.75 0.31 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -112.59 -74.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.36 -68.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.6 t -102.64 122.4 54.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.46 -64.43 0.86 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -165.83 -69.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.088 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 59.76 42.77 16.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.64 64.08 0.68 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.88 -171.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.644 2.229 . . . . 0.0 112.308 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -136.0 100.1 4.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.9 tttt 60.94 87.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -144.32 31.37 1.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.7 m -107.55 31.58 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -132.42 135.61 46.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.4 ptp -161.2 135.46 7.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 60.84 84.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -118.2 132.97 56.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -64.01 -34.73 78.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.939 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.686 0.279 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 t -61.73 -21.28 64.37 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-O 120.741 0.305 . . . . 0.0 111.197 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.41 ' O ' HG13 ' A' ' 33' ' ' ILE . 1.1 tt0 -55.57 -52.44 63.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -56.48 -32.32 64.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.419 ' HA ' HG12 ' A' ' 34' ' ' ILE . 18.2 mt-10 -69.99 -32.45 70.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.676 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.7 -35.41 70.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.075 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 29' ' ' GLU . 3.5 mt -70.79 -41.37 77.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.902 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.419 HG12 ' HA ' ' A' ' 31' ' ' GLU . 35.3 pt -65.23 -37.98 81.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.558 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.406 ' N ' HG13 ' A' ' 34' ' ' ILE . 15.4 tttt -71.66 -34.62 69.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.118 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.537 ' HA3' HD11 ' A' ' 50' ' ' ILE . . . -73.63 -39.74 48.21 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.245 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.722 HD12 HG21 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -74.8 -24.45 58.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.719 0.295 . . . . 0.0 110.989 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.03 -15.91 37.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.571 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -102.79 -51.28 3.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.78 0.324 . . . . 0.0 111.555 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.487 ' O ' HG23 ' A' ' 41' ' ' THR . 3.0 p90 -130.18 136.22 49.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 40' ' ' PHE . 22.8 p -159.0 33.37 0.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -80.79 85.38 6.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 170.35 154.61 9.59 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.565 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.75 -21.12 60.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.742 0.306 . . . . 0.0 111.183 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -142.4 85.1 1.89 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.635 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -24.23 61.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.493 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.512 ' CE1' HD21 ' A' ' 37' ' ' LEU . 26.4 m-85 -63.74 -50.41 69.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.786 0.327 . . . . 0.0 111.654 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -40.6 74.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.8 0.334 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -65.87 -49.53 67.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.793 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.814 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.62 -38.68 72.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.736 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.865 ' CD1' HD23 ' A' ' 67' ' ' LEU . 31.2 t80 -60.48 -46.79 88.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.624 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.461 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 28.0 m-85 -68.35 -23.49 64.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.51 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.82 -52.89 9.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 111.204 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.5 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -79.44 -0.61 33.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.865 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -53.27 105.7 0.14 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-O 121.053 0.454 . . . . 0.0 111.037 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 168.83 -33.4 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.732 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.2 m -74.16 -24.88 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.487 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.18 -78.29 0.58 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.25 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.108 -179.72 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.662 HG22 ' HB2' ' A' ' 66' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.696 0.284 . . . . 0.0 110.915 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 85.0 t -56.03 -33.47 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.71 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.43 -50.44 73.58 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.132 0.492 . . . . 0.0 109.919 179.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.662 ' HB2' HG22 ' A' ' 63' ' ' THR . 4.2 mm100 -58.23 -37.54 75.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.777 178.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.865 HD23 ' CD1' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -56.61 -50.2 72.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.343 179.235 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -61.53 -28.75 69.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.085 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.39 -49.51 66.58 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.492 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.549 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -75.55 -32.34 60.38 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.312 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.408 ' HB2' ' O ' ' A' ' 67' ' ' LEU . 3.6 t-105 -72.35 -28.32 62.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.608 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -78.12 -39.96 39.65 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.963 0.411 . . . . 0.0 110.58 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -75.88 -27.69 62.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.441 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.3 m -78.56 -45.68 21.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.34 . . . . 0.0 110.863 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 mm? . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.544 0.211 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.1 m -49.45 -28.82 5.69 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.842 0.353 . . . . 0.0 110.841 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' HG3' ' CD1' ' A' ' 58' ' ' TRP . 1.4 tm-20 -58.14 -51.26 70.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.795 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -56.37 -37.23 69.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.899 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.68 -34.54 75.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.013 0.435 . . . . 0.0 110.332 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.43 -35.01 70.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.368 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.608 HD13 ' CD2' ' A' ' 67' ' ' LEU . 3.6 mt -68.11 -45.46 83.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.773 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 35' ' ' LYS . 29.0 pt -61.6 -39.75 84.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.659 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.4 ' N ' HG13 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -69.37 -41.33 76.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.115 0.483 . . . . 0.0 109.805 179.119 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.544 ' HA3' HD11 ' A' ' 50' ' ' ILE . . . -63.21 -46.23 93.53 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.81 -0.709 . . . . 0.0 111.896 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.493 HD11 HG22 ' A' ' 33' ' ' ILE . 6.3 mt -61.77 -36.5 81.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.946 0.403 . . . . 0.0 110.786 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.64 -34.24 72.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.173 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -100.99 -22.42 14.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.465 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.731 ' O ' HG23 ' A' ' 41' ' ' THR . 6.9 m-85 -108.0 125.41 51.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.773 0.32 . . . . 0.0 111.06 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -171.89 40.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.822 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.99 51.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.81 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -170.93 178.03 43.61 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.547 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -77.28 -30.79 54.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -126.95 75.87 1.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.561 ' O ' HG22 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -59.12 -26.4 64.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.463 ' CE1' ' NE1' ' A' ' 71' ' ' TRP . 27.8 m-85 -66.24 -44.68 83.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.817 0.341 . . . . 0.0 111.144 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -70.33 -48.84 54.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.766 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -50.56 73.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.845 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -62.08 -37.69 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.647 179.714 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.75 ' HH ' ' N ' ' A' ' 63' ' ' THR . 18.0 t80 -54.08 -51.99 62.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.865 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -68.33 -29.13 67.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.198 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.64 -52.05 35.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.546 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.445 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.7 OUTLIER -78.61 -0.61 30.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.611 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -53.76 91.56 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.109 0 CA-C-O 120.936 0.398 . . . . 0.0 111.012 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.4 p -174.08 -41.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.648 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 58' ' ' TRP . 27.2 m -65.96 -44.82 92.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.997 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.604 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -89.24 -161.22 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.555 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.332 -0.183 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.474 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.75 ' N ' ' HH ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.756 0.312 . . . . 0.0 111.338 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.8 t -57.77 -37.45 59.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.129 0.49 . . . . 0.0 109.908 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -41.81 79.12 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.43 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.4 OUTLIER -60.98 -37.54 82.82 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.34 178.515 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.608 ' CD2' HD13 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -54.33 -50.07 68.24 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.015 179.087 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -63.33 -28.44 70.01 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.739 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -49.63 67.71 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.291 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.572 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -75.0 -33.01 61.78 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.165 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.463 ' NE1' ' CE1' ' A' ' 47' ' ' PHE . 28.6 t-105 -71.25 -30.62 66.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.409 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -72.32 -48.0 45.47 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.119 0.485 . . . . 0.0 110.281 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.16 -32.54 84.48 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.094 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 57.9 m -73.66 -36.64 65.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.616 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.3 -31.65 14.92 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-O 120.808 0.337 . . . . 0.0 110.665 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.436 ' HB3' ' CD2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -56.28 -51.41 68.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.909 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -56.55 -35.37 68.05 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.979 0.418 . . . . 0.0 110.442 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.484 ' O ' HG13 ' A' ' 34' ' ' ILE . 2.9 mm-40 -68.42 -29.32 67.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.436 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.37 -32.82 62.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.811 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.871 HD13 ' CD2' ' A' ' 67' ' ' LEU . 3.7 mt -72.06 -44.81 65.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.702 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 31' ' ' GLU . 0.9 OUTLIER -64.71 -39.02 84.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.299 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.441 ' HG3' HD12 ' A' ' 34' ' ' ILE . 5.7 mtpm? -73.33 -39.01 65.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.114 0.483 . . . . 0.0 109.751 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.487 ' HA3' HD11 ' A' ' 50' ' ' ILE . . . -64.43 -45.22 93.86 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.687 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.914 HD12 HG21 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -61.52 -42.26 98.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.568 179.562 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.08 -17.52 64.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.55 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -124.53 34.88 4.92 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -137.69 -91.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.889 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.798 HG22 ' HD3' ' A' ' 46' ' ' ARG . 16.7 p 43.5 70.1 0.34 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.887 0.375 . . . . 0.0 111.5 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -118.27 37.4 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.81 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 158.84 -163.25 33.08 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.77 32.17 2.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.764 0.316 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.2 50.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.798 ' HD3' HG22 ' A' ' 41' ' ' THR . 0.1 OUTLIER -55.86 -27.81 53.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.548 ' HB3' HD12 ' A' ' 67' ' ' LEU . 31.3 m-85 -60.32 -48.15 82.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.31 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.19 -49.02 54.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.945 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -50.42 73.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.664 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.914 HG21 HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -59.05 -37.56 68.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.412 179.482 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.581 ' HD2' HD23 ' A' ' 67' ' ' LEU . 9.6 t80 -56.46 -44.45 80.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.601 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -67.3 -32.04 72.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.608 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.89 -52.24 45.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.385 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.714 ' O ' HG12 ' A' ' 57' ' ' VAL . 0.7 OUTLIER -78.67 -0.26 29.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.447 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -53.68 -23.11 10.45 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.421 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.55 -37.73 71.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.643 0.259 . . . . 0.0 111.424 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.714 HG12 ' O ' ' A' ' 54' ' ' TYR . 13.5 p -80.68 -18.87 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.721 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.436 ' CD2' ' HB3' ' A' ' 29' ' ' GLU . 1.8 t-105 -130.53 -164.82 1.47 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.869 0.366 . . . . 0.0 111.341 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 50.2 m80 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.062 -179.895 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.569 HG22 ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.842 0.353 . . . . 0.0 111.253 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 83.5 t -56.46 -34.31 40.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.965 0.412 . . . . 0.0 110.385 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 79.0 p -58.2 -43.83 87.8 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.569 ' HB2' HG22 ' A' ' 63' ' ' THR . 0.5 OUTLIER -61.14 -35.94 78.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.704 178.658 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.871 ' CD2' HD13 ' A' ' 33' ' ' ILE . 2.2 tm? -55.58 -50.53 69.84 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.058 179.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -62.94 -29.16 70.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.781 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -49.33 67.97 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.271 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.597 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.3 -36.2 63.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.165 0.507 . . . . 0.0 109.841 179.349 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.443 ' HE1' HD13 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -70.92 -28.74 64.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.702 179.758 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -75.43 -41.27 56.35 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.952 0.406 . . . . 0.0 110.155 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.46 -37.04 93.93 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.952 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.6 p -74.05 -35.84 64.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.657 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 tp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.043 179.868 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.76 0.315 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.7 m -54.94 -32.29 61.17 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.141 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.482 ' O ' HG13 ' A' ' 33' ' ' ILE . 1.6 tt0 -60.16 -53.07 62.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.389 . . . . 0.0 110.526 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.51 -43.11 95.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.499 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.769 ' HG2' HD11 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -63.21 -29.75 71.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.478 179.587 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.04 -42.63 72.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.046 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.623 HD13 ' CD2' ' A' ' 67' ' ' LEU . 3.6 mt -64.63 -41.27 91.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.129 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.769 HD11 ' HG2' ' A' ' 31' ' ' GLU . 37.2 pt -65.67 -40.95 89.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.781 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.441 ' N ' HG13 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -66.84 -39.83 87.75 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.207 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.61 -49.65 67.66 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.485 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.688 HD22 HG21 ' A' ' 50' ' ' ILE . 1.2 mm? -55.29 -37.16 66.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 110.517 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.56 -19.43 62.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.324 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.402 ' O ' ' CD2' ' A' ' 40' ' ' PHE . 4.1 mtt180 -126.23 25.54 6.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.541 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.431 ' O ' HG23 ' A' ' 41' ' ' THR . 38.0 m-85 -162.53 91.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.817 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 40' ' ' PHE . 4.8 p -156.63 73.52 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -115.86 30.81 7.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 179.94 -157.08 19.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.547 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.03 -26.14 15.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 111.018 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -94.99 42.5 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.414 ' HG3' HD11 ' A' ' 37' ' ' LEU . 1.4 ptt180 -65.25 -42.45 93.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.444 ' O ' HG22 ' A' ' 50' ' ' ILE . 37.7 m-85 -63.11 -46.76 85.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.178 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.405 ' HG3' ' CG2' ' A' ' 64' ' ' VAL . 5.3 tt0 -70.17 -46.57 64.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.059 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -57.88 -50.36 73.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.907 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.773 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -60.97 -38.28 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.634 179.742 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.761 ' OH ' HG22 ' A' ' 63' ' ' THR . 31.1 t80 -60.57 -41.35 94.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.634 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -68.37 -34.83 76.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.315 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.74 -52.74 18.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.96 0.409 . . . . 0.0 110.928 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.466 ' CD2' ' HA ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -79.38 1.77 24.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.575 179.423 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.23 -25.65 14.92 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-O 120.739 0.304 . . . . 0.0 111.24 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 86.6 p -56.99 -25.25 58.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.731 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 43.5 t -80.84 -57.69 4.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.046 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.482 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -57.77 -166.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.967 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.532 0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.371 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.761 HG22 ' OH ' ' A' ' 51' ' ' TYR . 6.6 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.885 0.374 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.405 ' CG2' ' HG3' ' A' ' 48' ' ' GLN . 59.7 t -55.18 -35.89 37.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.512 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 m -57.06 -45.17 83.45 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.349 0.595 . . . . 0.0 109.551 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.438 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 58.6 mm-40 -60.19 -35.35 75.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.521 178.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.623 ' CD2' HD13 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -55.38 -50.14 70.47 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.175 179.063 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.11 -28.43 70.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.604 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -49.41 68.01 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.654 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.584 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.77 -31.87 61.89 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.132 179.631 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -76.19 -30.62 58.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -38.73 56.88 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.981 0.42 . . . . 0.0 110.467 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -72.49 -34.13 60.55 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.15 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.2 p -71.57 -42.43 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.668 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.225 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.614 0.245 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.38 -29.09 63.77 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.837 0.351 . . . . 0.0 111.116 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' O ' HG13 ' A' ' 33' ' ' ILE . 2.5 pp20? -58.89 -49.5 77.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -56.29 -30.07 62.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.768 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.44 ' HA ' HG12 ' A' ' 34' ' ' ILE . 59.6 tt0 -71.89 -32.31 67.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.076 0.465 . . . . 0.0 110.476 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.58 -33.38 66.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.069 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 29' ' ' GLU . 6.4 mt -73.47 -41.26 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.946 0.403 . . . . 0.0 110.607 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.44 HG12 ' HA ' ' A' ' 31' ' ' GLU . 40.8 pt -64.6 -38.22 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.575 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.423 ' N ' HG13 ' A' ' 34' ' ' ILE . 14.8 tttt -71.73 -38.39 70.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.074 0.464 . . . . 0.0 110.023 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.407 ' HA3' ' CG1' ' A' ' 50' ' ' ILE . . . -70.24 -38.51 71.84 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.896 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.493 HD21 ' HA ' ' A' ' 47' ' ' PHE . 40.9 mt -68.28 -33.62 74.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.902 0.382 . . . . 0.0 110.79 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.94 -23.94 60.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.39 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.03 -28.13 12.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.505 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -108.52 118.09 35.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.828 0.347 . . . . 0.0 111.068 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.446 ' HA ' ' HG2' ' A' ' 46' ' ' ARG . 0.6 OUTLIER -158.25 64.89 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.996 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.64 29.5 7.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.06 -151.11 5.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.53 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -112.65 -30.36 7.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.716 0.293 . . . . 0.0 111.06 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -115.37 70.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.919 0.39 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.446 ' HG2' ' HA ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -58.51 -28.37 65.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.493 ' HA ' HD21 ' A' ' 37' ' ' LEU . 25.5 m-85 -60.61 -47.31 86.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.906 0.384 . . . . 0.0 111.249 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -69.97 -48.46 58.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.801 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -57.84 -50.24 73.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.834 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -59.7 -38.51 76.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.715 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.865 ' CD1' HD23 ' A' ' 67' ' ' LEU . 36.2 t80 -60.22 -37.31 79.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.676 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -65.52 -50.75 64.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.746 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.26 -45.49 91.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.909 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.493 ' HB3' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -78.02 -4.35 46.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.07 179.705 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -54.83 91.52 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.878 0.37 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 p 177.29 -37.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.591 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.475 ' HB ' ' CE2' ' A' ' 54' ' ' TYR . 53.4 t -66.59 -67.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.091 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.431 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -113.62 120.66 41.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.231 -179.551 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.539 HG22 ' CG ' ' A' ' 66' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.77 0.319 . . . . 0.0 111.029 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.6 p -54.12 -32.88 23.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.991 0.424 . . . . 0.0 110.516 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.7 m -58.55 -39.98 81.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.015 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.539 ' CG ' HG22 ' A' ' 63' ' ' THR . 25.8 mm-40 -63.04 -32.74 74.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.972 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.865 HD23 ' CD1' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -62.6 -50.56 70.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.964 179.489 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -62.41 -27.94 69.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.04 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -68.84 -50.22 51.84 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.492 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.667 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.1 p-80 -82.42 -16.08 50.29 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.416 -0.513 . . . . 0.0 110.135 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.435 ' CZ2' ' CE1' ' A' ' 47' ' ' PHE . 27.0 t-105 -82.32 -33.55 28.92 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -39.5 60.24 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.937 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -70.48 -38.3 69.34 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.983 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.2 m -70.73 -34.46 71.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.874 0.369 . . . . 0.0 110.596 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.2 tt . . . . . 0 C--N 1.332 -0.175 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.838 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -51.94 -29.1 18.9 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-O 120.825 0.345 . . . . 0.0 110.782 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' HG13 ' A' ' 33' ' ' ILE . 1.5 tt0 -64.62 -50.63 66.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.689 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.36 -29.47 61.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.765 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.435 ' HA ' HG12 ' A' ' 34' ' ' ILE . 12.7 mm-40 -67.31 -36.59 81.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.109 0.481 . . . . 0.0 110.496 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.02 -35.03 71.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.917 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.701 HD13 ' CD2' ' A' ' 67' ' ' LEU . 5.0 mt -71.32 -41.01 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.939 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.435 HG12 ' HA ' ' A' ' 31' ' ' GLU . 40.1 pt -65.71 -36.48 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -36.35 66.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.24 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.411 ' HA3' HG13 ' A' ' 50' ' ' ILE . . . -64.54 -51.25 53.81 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.335 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.527 HD12 HG21 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -70.38 -31.73 69.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.942 0.401 . . . . 0.0 110.814 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.85 -25.84 68.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.087 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -98.88 -42.7 7.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.456 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.476 ' CE2' HG12 ' A' ' 50' ' ' ILE . 32.4 p90 -143.58 129.7 19.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.829 0.347 . . . . 0.0 111.481 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 37' ' ' LEU . 8.5 t 177.51 55.84 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.739 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -103.5 49.27 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.04 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.24 11.59 3.56 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.792 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.31 24.2 3.69 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.689 0.28 . . . . 0.0 111.205 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -178.59 38.21 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.752 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -72.98 -23.3 60.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.442 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.505 ' CD1' HD21 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -44.65 -42.06 7.18 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.662 0.267 . . . . 0.0 111.591 -179.033 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -70.31 -52.49 22.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.814 0.34 . . . . 0.0 111.283 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.68 -50.36 73.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.984 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.533 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -58.33 -39.5 74.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.533 179.789 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.51 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 38.6 t80 -54.74 -49.16 71.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.42 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -68.38 -27.61 66.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.003 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.34 -52.17 20.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.32 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.51 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -78.39 -0.83 30.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.417 179.765 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -53.14 93.17 0.01 OUTLIER 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.823 0.344 . . . . 0.0 111.094 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.5 p -177.41 -40.46 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.639 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.453 HG22 ' HD1' ' A' ' 54' ' ' TYR . 29.2 m -65.69 -29.57 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.403 ' CE3' ' OE2' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -113.16 146.27 39.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.071 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.42 HG22 ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.799 0.333 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.6 t -54.45 -37.26 37.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.64 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.32 -47.73 84.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.328 0.585 . . . . 0.0 109.491 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.433 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 4.6 mm-40 -59.58 -35.66 74.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.519 178.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.701 ' CD2' HD13 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -54.79 -50.11 69.32 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.159 179.087 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -63.34 -28.56 70.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.556 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -49.58 69.41 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.554 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.595 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.52 -33.29 62.74 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.788 179.507 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -72.79 -28.56 62.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.597 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.66 -41.29 54.38 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.01 0.433 . . . . 0.0 110.51 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -72.86 -28.26 67.29 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.282 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.0 p -78.61 -37.16 42.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.837 0.351 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.485 ' O ' HD13 ' A' ' 75' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.107 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.582 0.23 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.9 t -59.2 -38.64 80.39 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-O 120.837 0.351 . . . . 0.0 111.078 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.441 ' O ' HG13 ' A' ' 33' ' ' ILE . 1.9 pt-20 -58.97 -52.65 64.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.055 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.11 -40.1 94.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.43 ' O ' HG13 ' A' ' 34' ' ' ILE . 4.8 tt0 -60.76 -29.64 69.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.691 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.47 -38.8 54.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.803 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.717 HD13 HD21 ' A' ' 67' ' ' LEU . 1.2 mt -71.89 -37.93 63.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.959 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.748 HD12 ' N ' ' A' ' 35' ' ' LYS . 2.8 pp -69.15 -38.97 78.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.959 0.409 . . . . 0.0 110.161 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.748 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 tmtm? -72.56 -41.42 65.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.558 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.49 -48.4 85.09 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.639 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.405 HD12 HG21 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -58.28 -42.5 86.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.847 0.356 . . . . 0.0 110.356 179.362 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.72 -29.42 59.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.987 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.406 ' O ' ' CG ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -117.94 27.59 8.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.254 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.59 ' O ' HG23 ' A' ' 41' ' ' THR . 35.1 m-85 -160.21 93.14 1.03 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.821 0.343 . . . . 0.0 110.853 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 40' ' ' PHE . 6.5 p -161.99 77.46 0.51 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.09 -36.52 5.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.16 -161.76 17.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.534 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -99.91 32.72 2.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.751 0.31 . . . . 0.0 110.95 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -156.66 78.24 0.92 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.984 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.8 -28.5 12.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.805 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.459 ' O ' HG22 ' A' ' 50' ' ' ILE . 39.4 m-85 -63.95 -50.03 70.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -42.86 71.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.844 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -62.73 -50.44 71.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.813 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -59.07 -38.37 73.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.068 0.461 . . . . 0.0 110.595 179.755 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.8 ' CD1' HD23 ' A' ' 67' ' ' LEU . 64.7 t80 -60.42 -39.96 89.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.749 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -68.33 -36.09 78.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.44 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.04 -52.65 22.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.921 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.484 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -79.3 0.85 27.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.213 179.288 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.06 94.04 0.01 OUTLIER 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.942 0.401 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.81 -35.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.579 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.8 t -77.39 -58.35 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.156 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.482 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -68.77 -74.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.937 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 28.7 t60 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.088 -179.856 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.87 HG22 ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.094 0 CA-C-O 120.81 0.338 . . . . 0.0 110.958 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.5 t -60.12 -35.41 61.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.0 m -59.63 -50.01 75.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.174 0.511 . . . . 0.0 110.178 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.87 ' HB2' HG22 ' A' ' 63' ' ' THR . 1.6 tt0 -60.49 -32.09 71.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.911 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.8 HD23 ' CD1' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -64.59 -50.74 66.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.474 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.41 ' CE1' ' HB2' ' A' ' 47' ' ' PHE . 3.9 m-30 -61.3 -28.05 68.92 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.819 179.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 66' ' ' GLN . 7.5 m-20 -66.2 -50.02 65.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.569 -0.742 . . . . 0.0 112.114 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.67 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.2 p-80 -79.84 -15.29 57.68 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.298 -0.561 . . . . 0.0 111.114 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.468 ' HA ' ' CE3' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -86.56 -32.02 20.9 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 177.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -77.21 -32.78 56.19 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.075 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.53 -40.44 12.83 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.168 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.9 m -67.26 -44.25 79.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.84 0.352 . . . . 0.0 110.623 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.789 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.647 0.261 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.8 t -51.16 -47.13 62.21 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.827 0.346 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -63.6 -43.45 96.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.321 179.561 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.431 ' N ' ' HG2' ' A' ' 29' ' ' GLU . 8.3 m-20 -60.33 -36.61 78.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.51 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.426 ' HA ' HG22 ' A' ' 34' ' ' ILE . 82.0 mt-10 -68.94 -29.87 68.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.482 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.51 77.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.403 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.816 HD13 ' CD2' ' A' ' 67' ' ' LEU . 5.5 mt -64.3 -50.78 75.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.59 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.587 ' HA ' HD12 ' A' ' 37' ' ' LEU . 6.5 tp -58.82 -40.25 79.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.722 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -33.5 68.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.119 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.04 -42.5 84.64 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.992 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.635 ' O ' HG23 ' A' ' 41' ' ' THR . 2.1 mt -67.21 -39.94 86.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.8 0.334 . . . . 0.0 110.806 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.36 -14.55 61.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.782 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.37 -21.59 11.3 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -90.58 -87.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.573 0.225 . . . . 0.0 111.039 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 37' ' ' LEU . 1.5 p 46.15 43.99 11.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.832 0.348 . . . . 0.0 111.32 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.74 38.93 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.025 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 162.33 -166.54 36.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -103.48 37.67 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -169.35 41.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -25.88 43.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.479 ' O ' HG22 ' A' ' 50' ' ' ILE . 60.0 m-85 -60.48 -49.49 77.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.903 0.382 . . . . 0.0 110.961 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -44.93 67.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.745 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.55 -50.57 73.31 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.806 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.741 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -59.96 -37.56 72.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.969 0.414 . . . . 0.0 110.332 179.42 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.664 ' HD1' HD23 ' A' ' 67' ' ' LEU . 60.4 t80 -53.04 -52.94 56.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.411 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.457 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . 31.5 m-85 -66.1 -25.72 67.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.583 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.8 -51.53 32.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.959 0.409 . . . . 0.0 110.852 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.541 ' O ' HG12 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -78.54 5.11 11.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.073 -179.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.457 ' HG3' ' HA ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -52.86 -23.29 6.73 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.249 -0.282 . . . . 0.0 111.255 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 90.4 p -78.65 -59.99 2.56 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.617 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 54' ' ' TYR . 12.3 p -47.67 -31.62 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.701 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -115.7 -159.86 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.597 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 28.1 m80 . . . . . 0 CA--C 1.53 0.198 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.507 ' HB ' ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.807 0.337 . . . . 0.0 111.286 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 67' ' ' LEU . 63.3 t -56.63 -33.27 39.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.133 0.492 . . . . 0.0 109.744 178.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.6 t -60.52 -40.3 90.94 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.507 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 2.9 mm100 -63.05 -37.87 88.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.516 178.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.816 ' CD2' HD13 ' A' ' 33' ' ' ILE . 3.1 tm? -53.94 -49.17 69.29 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.636 178.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.66 -28.71 70.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.713 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.43 -49.51 66.51 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.106 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.52 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -76.74 -30.92 56.81 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 46.5 t90 -71.73 -33.34 68.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.267 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -76.07 -39.64 54.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.22 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.26 -28.39 72.73 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.213 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 48.5 m -77.79 -42.11 35.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.808 0.337 . . . . 0.0 110.631 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.8 tp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 179.889 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.739 0.304 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' A' ' 29' ' ' GLU . 51.9 p -56.86 -65.65 0.58 Allowed 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.026 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.404 ' N ' ' OG ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -56.0 -46.9 78.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.142 0.496 . . . . 0.0 110.295 179.572 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.456 ' O ' HG23 ' A' ' 34' ' ' ILE . 35.5 t70 -58.9 -31.02 68.23 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.627 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.472 ' HA ' HG12 ' A' ' 34' ' ' ILE . 55.5 tt0 -66.37 -36.5 83.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.964 0.411 . . . . 0.0 110.527 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.559 ' HB1' ' HB2' ' A' ' 54' ' ' TYR . . . -71.13 -35.69 71.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.637 ' HA ' HG21 ' A' ' 50' ' ' ILE . 8.0 mt -73.02 -38.72 56.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.771 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.472 HG12 ' HA ' ' A' ' 31' ' ' GLU . 46.0 pt -66.4 -35.62 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-O 121.001 0.429 . . . . 0.0 110.32 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.402 ' N ' HG13 ' A' ' 34' ' ' ILE . 5.0 tttm -68.36 -40.02 81.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.034 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.27 -29.4 70.3 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.201 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.668 HD12 ' CD1' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -75.6 -36.28 60.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.978 0.418 . . . . 0.0 110.674 179.824 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.33 -3.14 59.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.655 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -103.63 -42.73 5.56 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -149.75 115.11 5.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.302 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.423 ' CG2' ' HA ' ' A' ' 37' ' ' LEU . 71.4 p -157.79 87.14 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.5 mtmm -113.16 30.71 6.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.758 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.3 -168.01 27.83 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.44 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.81 34.34 5.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -154.01 30.21 0.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -24.44 30.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.028 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.641 ' CD1' HD11 ' A' ' 37' ' ' LEU . 47.7 m-85 -52.78 -45.99 67.37 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.026 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -63.22 -45.2 92.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -57.72 -47.62 81.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.737 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.668 ' CD1' HD12 ' A' ' 37' ' ' LEU . 51.9 mt -58.64 -38.98 74.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.703 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.673 ' CD1' HD23 ' A' ' 67' ' ' LEU . 60.7 t80 -58.86 -44.82 91.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.784 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -68.22 -28.52 67.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.115 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.72 -52.51 10.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 110.843 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.559 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -79.39 0.34 29.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.722 179.708 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -53.09 -25.05 11.58 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.67 0.271 . . . . 0.0 111.216 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.74 -18.46 62.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.996 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.0 t -89.74 -75.23 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.842 0.353 . . . . 0.0 111.361 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -117.17 139.9 50.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.446 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.7 m170 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.405 179.649 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.685 HG22 ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.897 0.38 . . . . 0.0 110.642 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 68.3 t -52.49 -35.78 20.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -60.74 -48.41 81.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.149 0.499 . . . . 0.0 109.682 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.685 ' HB2' HG22 ' A' ' 63' ' ' THR . 12.9 tt0 -60.28 -32.52 71.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.893 178.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.717 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -61.72 -51.08 69.85 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.401 179.742 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -61.78 -28.11 69.22 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.849 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -66.09 -49.99 65.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.707 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.717 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.0 p-80 -79.83 -17.27 53.69 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.076 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.505 ' HA ' ' CE3' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -84.43 -29.83 25.81 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.061 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -79.12 -33.05 44.63 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.155 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.05 -37.02 23.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.445 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 70' ' ' HIS . 43.3 p -74.11 -48.25 30.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.794 0.33 . . . . 0.0 111.011 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 tt . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.982 -179.84 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.776 0.322 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.8 t -65.09 -31.7 73.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.261 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.477 ' O ' HG13 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -56.38 -52.85 63.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.954 -179.785 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -61.39 -38.47 87.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.444 ' O ' HG13 ' A' ' 34' ' ' ILE . 7.2 mt-10 -68.43 -29.19 67.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.704 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.412 ' HA ' ' CG ' ' A' ' 35' ' ' LYS . . . -72.26 -36.44 69.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.206 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.503 HD13 HD22 ' A' ' 67' ' ' LEU . 4.0 mt -70.83 -44.2 76.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.61 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.596 HD12 ' N ' ' A' ' 35' ' ' LYS . 2.6 pp -65.94 -41.61 90.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.596 ' N ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -73.65 -30.07 62.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.005 0.431 . . . . 0.0 110.079 178.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.6 -43.8 84.51 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.134 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.751 HD23 ' HE ' ' A' ' 46' ' ' ARG . 3.1 mp -69.06 -42.25 76.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.761 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.05 -21.06 66.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.443 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -104.48 -22.04 13.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.369 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.695 ' O ' HG23 ' A' ' 41' ' ' THR . 17.6 m-85 -115.07 126.4 54.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.069 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.695 HG23 ' O ' ' A' ' 40' ' ' PHE . 0.8 OUTLIER -168.53 82.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -136.97 32.47 2.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.54 -168.77 48.33 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.561 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 59.71 30.0 19.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.18 94.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.751 ' HE ' HD23 ' A' ' 37' ' ' LEU . 27.5 ptt-85 -57.93 -26.24 61.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.425 ' O ' HG22 ' A' ' 50' ' ' ILE . 72.0 m-85 -62.81 -49.07 76.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.973 0.416 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -70.54 -48.28 56.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.776 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -59.25 -50.45 73.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.839 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.75 -37.9 68.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.304 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.711 ' HD1' HD23 ' A' ' 67' ' ' LEU . 75.9 t80 -62.3 -37.15 84.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.32 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -61.84 -47.41 85.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.336 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.68 -32.22 69.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.095 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.464 ' CE1' ' HB ' ' A' ' 57' ' ' VAL . 2.6 t80 -78.4 -8.72 58.79 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.372 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -53.53 -36.22 61.55 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.689 0.28 . . . . 0.0 111.142 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.8 t -55.59 -23.1 25.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.285 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.464 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 47.6 t -83.52 -73.17 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.341 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -114.09 155.59 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.136 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.883 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.23 0.064 0 N-CA-C 111.437 0.162 . . . . 0.0 111.437 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.7 t -51.22 -27.41 6.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-O 120.93 0.395 . . . . 0.0 110.07 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 t -66.59 -40.06 88.73 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.457 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -64.49 -39.23 93.4 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.464 178.722 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.711 HD23 ' HD1' ' A' ' 51' ' ' TYR . 2.4 tm? -55.22 -47.1 75.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.793 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -64.65 -28.54 69.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.662 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.66 -49.47 68.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.088 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.531 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -76.71 -30.91 56.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.121 0.486 . . . . 0.0 109.715 179.086 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 20.4 t-105 -73.03 -31.24 64.32 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.308 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.38 -36.96 53.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.446 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.39 -29.32 64.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.253 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.9 m -77.45 -43.63 31.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.759 0.314 . . . . 0.0 110.71 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.557 0.217 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.27 -27.2 44.95 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-O 120.706 0.289 . . . . 0.0 111.144 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.454 ' O ' HG13 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -58.69 -52.7 64.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.919 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -57.65 -40.29 78.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.597 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' O ' HG13 ' A' ' 34' ' ' ILE . 6.4 mp0 -68.58 -29.47 68.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.685 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.15 -36.27 74.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.796 HD13 ' CD2' ' A' ' 67' ' ' LEU . 4.0 mt -71.23 -47.28 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.545 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.689 HD12 ' N ' ' A' ' 35' ' ' LYS . 2.8 pp -63.57 -37.82 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.305 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.689 ' N ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -73.79 -37.23 65.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.198 0.523 . . . . 0.0 110.032 178.886 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.408 ' O ' ' CD1' ' A' ' 40' ' ' PHE . . . -63.64 -47.05 90.34 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.175 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.613 ' O ' HG22 ' A' ' 41' ' ' THR . 0.9 OUTLIER -69.31 -40.11 77.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.713 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.67 -23.56 59.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.444 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -91.54 -32.87 15.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.245 -179.764 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.463 ' O ' ' HB ' ' A' ' 41' ' ' THR . 0.1 OUTLIER -148.84 129.12 13.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 111.367 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 37' ' ' LEU . 3.7 t 170.4 84.46 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.502 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -119.39 42.79 2.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.996 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 112.41 178.06 19.84 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.673 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.08 21.68 9.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.687 0.28 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 50.45 87.2 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.402 ' CG ' ' HA ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -66.91 -23.58 66.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.252 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -45.1 -41.87 8.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.707 0.289 . . . . 0.0 111.734 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -52.18 24.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 111.229 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -50.37 73.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.8 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.73 -37.93 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.619 179.678 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.815 ' OH ' HG22 ' A' ' 63' ' ' THR . 30.8 t80 -58.41 -41.71 85.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.302 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -68.26 -34.67 76.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.4 -52.43 39.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.3 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.468 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -78.62 -1.17 32.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.374 179.825 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -53.24 -31.2 42.2 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.859 0.361 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 m -63.5 -20.77 65.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.026 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.2 t -80.05 -74.36 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.375 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -121.63 158.46 28.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.234 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.869 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.815 HG22 ' OH ' ' A' ' 51' ' ' TYR . 14.5 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.891 0.377 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.7 t -50.59 -32.92 10.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 120.963 0.411 . . . . 0.0 109.987 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.3 m -58.9 -43.13 90.97 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.42 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 15.8 mt-30 -61.54 -36.81 81.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.397 178.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.796 ' CD2' HD13 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -53.81 -50.02 67.07 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.863 178.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -63.4 -28.53 70.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.612 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -65.46 -49.66 68.27 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.427 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.607 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -75.62 -28.23 58.76 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 178.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.471 ' HZ3' HG22 ' A' ' 34' ' ' ILE . 26.1 t-105 -69.65 -35.8 75.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.282 179.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -40.19 63.08 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.16 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.71 -30.75 72.76 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.107 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.9 m -72.06 -45.68 59.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.815 0.341 . . . . 0.0 110.556 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.469 ' HA ' HD22 ' A' ' 75' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.73 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -53.27 -41.07 65.16 Favored 'General case' 0 C--N 1.34 0.159 0 CA-C-O 120.893 0.378 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.483 ' O ' HG13 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -56.77 -52.6 64.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.96 -179.856 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.82 -42.82 94.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.404 ' HA ' HG12 ' A' ' 34' ' ' ILE . 3.6 tt0 -58.79 -33.35 70.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.56 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.443 ' HA ' ' HG2' ' A' ' 35' ' ' LYS . . . -71.91 -36.86 70.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.986 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.835 HG22 HD12 ' A' ' 37' ' ' LEU . 1.8 mt -69.72 -39.06 77.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.949 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.426 HG13 ' N ' ' A' ' 35' ' ' LYS . 32.7 pt -66.43 -40.94 87.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' HG2' ' HA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -72.21 -36.58 69.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.173 0.511 . . . . 0.0 110.102 179.331 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.482 ' HA3' ' CG1' ' A' ' 50' ' ' ILE . . . -70.14 -42.24 67.83 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.119 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.835 HD12 HG22 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -68.3 -31.72 71.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.835 0.35 . . . . 0.0 110.699 179.735 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.83 -23.65 60.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.367 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.1 -25.03 12.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.612 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -113.47 124.44 52.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.33 . . . . 0.0 111.273 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.404 ' HA ' ' HG2' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -155.76 84.12 1.03 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.891 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -33.02 61.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.047 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.52 86.15 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.788 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 55.61 52.27 11.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.874 0.369 . . . . 0.0 111.205 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -176.87 37.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.632 ' HD3' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -88.05 -28.63 21.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.993 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.609 ' HD1' HD11 ' A' ' 37' ' ' LEU . 29.8 m-85 -58.5 -46.69 86.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.777 -179.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.512 ' OE1' HG21 ' A' ' 64' ' ' VAL . 13.0 mt-30 -70.21 -54.72 11.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.953 0.406 . . . . 0.0 111.194 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -44.21 84.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.092 -179.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.797 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -62.09 -41.18 90.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.753 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.626 ' HD1' HD23 ' A' ' 67' ' ' LEU . 81.3 t80 -56.85 -41.94 78.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.973 0.416 . . . . 0.0 110.778 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -65.23 -43.15 92.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.505 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.22 -53.1 41.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.892 0.377 . . . . 0.0 111.068 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.501 ' CD2' ' HA ' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -79.72 4.09 17.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.491 179.262 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -24.32 9.11 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.691 0.281 . . . . 0.0 111.201 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.1 t -58.1 -26.94 63.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.863 0.363 . . . . 0.0 110.698 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.5 t -76.24 -69.18 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.563 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -71.41 179.86 2.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.71 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.33 179.847 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.87 0.367 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.512 HG21 ' OE1' ' A' ' 48' ' ' GLN . 1.1 t 73.93 -52.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.522 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.488 ' N ' HG12 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -63.2 -33.23 75.02 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -68.33 -32.69 72.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.302 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.7 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -66.64 -50.83 61.67 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.168 179.635 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -62.81 -27.91 69.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.89 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -66.07 -49.82 66.3 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.248 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.7 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.1 p-80 -82.78 -21.74 34.51 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.079 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.403 ' HB2' HD13 ' A' ' 67' ' ' LEU . 51.4 t-105 -79.73 -30.64 40.94 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.791 178.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 44.1 ttm-85 -76.69 -46.27 26.25 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.108 0.48 . . . . 0.0 109.936 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.63 -31.01 75.31 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.254 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.9 m -81.84 -28.17 33.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.643 0.258 . . . . 0.0 111.104 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.207 0 CA-C-O 120.929 0.395 . . . . 0.0 111.45 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.57 -24.95 23.26 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-O 120.668 0.27 . . . . 0.0 111.195 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.659 ' HG3' HG12 ' A' ' 57' ' ' VAL . 1.7 mp0 -54.52 -52.56 61.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.96 0.41 . . . . 0.0 111.167 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -68.31 -35.27 77.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.466 ' O ' HG13 ' A' ' 34' ' ' ILE . 3.3 mm-40 -73.06 -29.85 63.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.56 -38.36 67.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.49 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.913 HD12 HD11 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -68.59 -49.13 67.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.518 179.246 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.603 HD12 ' N ' ' A' ' 35' ' ' LYS . 2.7 pp -56.83 -38.75 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 120.489 -0.484 . . . . 0.0 109.732 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.603 ' N ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -73.54 -29.86 62.71 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 177.769 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.56 -47.84 60.09 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.583 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.756 HD12 HG21 ' A' ' 50' ' ' ILE . 10.5 mp -71.95 -32.11 66.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 111.027 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.17 -6.39 59.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.744 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.97 -33.18 4.02 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.422 ' O ' ' HB ' ' A' ' 41' ' ' THR . 11.4 m-85 -110.23 92.29 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 111.491 -179.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 41' ' ' THR . 9.6 t 179.86 91.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.03 27.93 5.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.822 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.94 -71.99 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.408 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 179.06 -38.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.766 0.317 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -134.0 67.82 1.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.073 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.438 ' CB ' ' HA ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -100.29 -24.16 14.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.717 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.62 ' O ' HG22 ' A' ' 50' ' ' ILE . 6.3 m-85 -45.48 -44.54 12.49 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.342 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -31.76 70.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.333 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -50.54 67.97 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.371 179.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.823 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -60.35 -37.62 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.886 179.131 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.737 ' CD1' HD23 ' A' ' 67' ' ' LEU . 27.7 t80 -58.2 -39.97 80.34 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.205 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -61.89 -58.97 5.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.209 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.37 -27.38 69.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.295 179.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.515 ' CE2' HG12 ' A' ' 33' ' ' ILE . 22.1 t80 -78.05 -11.16 59.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.179 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -53.38 -30.18 38.49 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.808 0.337 . . . . 0.0 111.135 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.2 t -63.76 -30.76 71.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.659 HG12 ' HG3' ' A' ' 29' ' ' GLU . 21.6 t -78.35 -55.04 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.171 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.505 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -94.79 -163.4 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.813 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.75 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.58 HG22 ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.799 0.333 . . . . 0.0 111.052 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 87.1 t -55.03 -35.01 33.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.97 0.414 . . . . 0.0 110.393 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.6 t -59.21 -42.51 91.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.646 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.58 ' HB2' HG22 ' A' ' 63' ' ' THR . 4.0 tp60 -59.86 -38.01 80.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.662 178.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.913 HD11 HD12 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -56.98 -47.63 80.33 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.095 179.033 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -63.05 -28.25 69.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.74 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -65.31 -49.55 69.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.359 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.632 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.67 -33.72 62.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.223 0.535 . . . . 0.0 109.656 179.308 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.457 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 43.3 t-105 -71.48 -32.15 67.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.651 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.55 -29.84 41.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.538 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.34 -26.59 57.04 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.252 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 70' ' ' HIS . 51.1 p -85.3 -37.1 20.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.733 0.301 . . . . 0.0 110.951 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.416 HD22 ' CZ2' ' A' ' 71' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.81 -27.29 4.83 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.908 0.385 . . . . 0.0 110.798 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.18 -47.19 46.16 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.049 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -56.51 -39.33 73.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.043 0.449 . . . . 0.0 110.427 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -29.89 70.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.399 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.02 -38.03 78.98 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.426 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.018 HD13 HD22 ' A' ' 67' ' ' LEU . 5.8 mt -65.11 -51.17 69.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.534 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -57.73 -39.19 69.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.619 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -67.27 -40.5 86.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.167 0.508 . . . . 0.0 109.788 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.93 -50.14 62.91 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.691 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mp -59.39 -31.19 69.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.38 . . . . 0.0 110.672 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.61 -30.77 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.43 ' O ' ' CG ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -116.4 27.14 9.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.253 -179.835 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.43 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 56.7 m-85 -158.59 -146.19 0.15 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.694 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.596 ' HA ' ' HB2' ' A' ' 46' ' ' ARG . 2.3 t 45.4 83.7 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.121 0.486 . . . . 0.0 111.721 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -135.86 22.45 3.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.289 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 128.22 155.41 8.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.37 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.19 11.7 8.47 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.2 100.36 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.97 0.414 . . . . 0.0 111.211 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.596 ' HB2' ' HA ' ' A' ' 41' ' ' THR . 4.5 mmp_? -95.14 -23.33 17.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.196 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -44.33 -42.2 6.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.909 -178.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -69.61 -50.31 45.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.807 0.337 . . . . 0.0 111.168 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -50.36 73.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.987 0.422 . . . . 0.0 110.828 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.668 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.44 -37.49 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.467 179.707 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.553 ' HD2' HD23 ' A' ' 67' ' ' LEU . 3.7 t80 -56.37 -48.53 76.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.536 179.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -62.56 -34.53 77.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.41 -52.55 52.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.356 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.482 ' CD2' ' HA ' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -78.93 2.1 21.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.621 179.669 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.2 ttm105 -53.16 -24.96 11.91 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.749 0.309 . . . . 0.0 111.219 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 62.6 m -60.5 -26.15 66.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.725 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 80.1 t -74.84 -72.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.425 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -108.53 164.55 12.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.793 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.459 ' HB ' ' CE1' ' A' ' 51' ' ' TYR . 65.6 p . . . . . 0 CA--C 1.522 -0.101 0 CA-C-O 120.868 0.366 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 63' ' ' THR . 85.5 t 70.53 -52.61 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.981 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.2 p -57.08 -46.05 82.83 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.436 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -62.89 -39.22 93.82 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.298 178.546 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.018 HD22 HD13 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -54.55 -50.25 68.38 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.017 178.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.4 ' O ' ' N ' ' A' ' 72' ' ' ARG . 5.0 m-30 -62.71 -28.38 69.91 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.903 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.11 -49.37 70.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.9 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.552 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -77.18 -29.71 54.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.137 0.494 . . . . 0.0 109.709 178.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -74.21 -29.7 61.86 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.582 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' TYR . 5.2 mtm-85 -77.97 -40.35 39.63 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.035 0.445 . . . . 0.0 110.352 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -72.2 -28.24 68.56 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.209 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.1 p -77.21 -48.2 18.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.351 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.6 mt . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.3 p -53.08 -24.51 10.25 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.355 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.542 ' HG3' ' CZ2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -79.58 -52.46 7.97 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.214 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.31 -28.94 70.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.347 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.423 ' O ' HG13 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -71.17 -29.52 65.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.566 179.728 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.29 -36.62 58.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.572 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.708 HD13 HD22 ' A' ' 67' ' ' LEU . 5.4 mt -71.61 -42.2 71.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.716 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 31' ' ' GLU . 2.2 pp -66.52 -39.1 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.336 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -73.54 -36.89 65.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.813 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.444 ' HA3' HD11 ' A' ' 50' ' ' ILE . . . -64.89 -52.18 44.52 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.719 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.677 HD12 HG21 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -60.27 -36.88 78.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.806 0.336 . . . . 0.0 110.458 179.523 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.64 -24.67 67.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.419 ' O ' ' CD1' ' A' ' 40' ' ' PHE . 1.4 tmt_? -121.23 26.98 8.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.182 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 39' ' ' ARG . 28.7 m-85 -155.99 88.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.956 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.495 HG22 ' HG2' ' A' ' 46' ' ' ARG . 1.3 p -148.28 75.67 1.34 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.32 -34.63 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.959 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.03 -167.46 21.44 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.706 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.21 30.22 3.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.7 0.286 . . . . 0.0 110.842 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.14 69.82 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.999 0.428 . . . . 0.0 110.725 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.495 ' HG2' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER -77.32 -32.34 55.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.986 -179.774 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.405 ' O ' HG22 ' A' ' 50' ' ' ILE . 27.9 m-85 -60.46 -46.09 91.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.257 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.15 -53.32 17.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.018 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.74 -47.31 82.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.325 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.803 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -61.72 -39.93 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.179 -179.701 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.473 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 86.5 t80 -58.54 -43.22 89.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -68.23 -34.41 76.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.347 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.75 -52.53 24.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.895 0.379 . . . . 0.0 111.169 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.473 ' CD2' ' HA ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -78.72 -1.45 34.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.262 179.478 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -53.41 -23.92 11.1 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.74 0.305 . . . . 0.0 111.364 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.0 m -53.86 -28.37 35.57 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.8 0.333 . . . . 0.0 110.917 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.21 -63.85 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.054 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.542 ' CZ2' ' HG3' ' A' ' 29' ' ' GLU . 74.4 m95 -109.47 108.21 18.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.7 p80 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 -179.829 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.423 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 2.3 t . . . . . 0 CA--C 1.523 -0.084 0 CA-C-O 120.76 0.314 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.448 ' CG1' ' CZ ' ' A' ' 68' ' ' TYR . 70.6 t 70.2 -52.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.576 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -42.18 81.91 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.46 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 42.5 mm-40 -63.83 -39.07 93.36 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.203 178.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.708 HD22 HD13 ' A' ' 33' ' ' ILE . 2.0 tm? -55.64 -50.44 70.2 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.979 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.448 ' CZ ' ' CG1' ' A' ' 64' ' ' VAL . 9.5 m-30 -61.46 -28.6 69.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.974 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -64.97 -49.36 70.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.431 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.588 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -75.71 -32.41 60.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.022 0.439 . . . . 0.0 109.98 179.551 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.541 ' HZ3' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -74.93 -27.71 60.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.8 179.673 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.3 -37.51 37.54 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 120.94 0.4 . . . . 0.0 110.591 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -75.81 -28.88 60.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.273 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.1 m -77.73 -49.72 13.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 0.0 110.781 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.541 HD22 ' HZ3' ' A' ' 71' ' ' TRP . 3.4 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.426 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.0 -29.19 19.73 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.442 ' HG2' ' CZ2' ' A' ' 58' ' ' TRP . 0.4 OUTLIER -56.77 -48.98 76.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.044 179.85 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -56.53 -31.79 64.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.793 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.424 ' HA ' ' CG1' ' A' ' 34' ' ' ILE . 12.8 mt-10 -70.12 -29.66 66.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.714 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.29 -35.71 61.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.554 HG21 HD11 ' A' ' 67' ' ' LEU . 7.2 mt -74.44 -40.85 49.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.753 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.62 HD12 ' N ' ' A' ' 35' ' ' LYS . 2.8 pp -66.99 -35.54 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.261 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.62 ' N ' HD12 ' A' ' 34' ' ' ILE . 7.2 mttp -70.58 -34.94 72.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.94 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.6 -30.3 62.28 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.458 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.677 HD23 ' HG3' ' A' ' 46' ' ' ARG . 2.6 mt -77.79 -31.83 52.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 111.033 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.16 -10.97 51.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 0.0 112.013 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -100.37 -47.08 5.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.659 0.266 . . . . 0.0 111.522 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -142.4 141.25 32.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.242 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.458 HG22 ' HG3' ' A' ' 46' ' ' ARG . 77.2 p -157.42 31.55 0.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.826 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.14 73.7 0.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.655 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 45' ' ' GLN . . . -172.44 168.04 41.05 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.44 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.635 ' O ' ' HB2' ' A' ' 45' ' ' GLN . 6.4 mt-30 -62.25 84.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.635 ' HB2' ' O ' ' A' ' 44' ' ' GLN . 8.8 mt-30 80.0 99.34 0.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.796 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.677 ' HG3' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -73.49 -29.25 62.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.051 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.65 ' CE1' HD21 ' A' ' 37' ' ' LEU . 66.8 m-85 -59.81 -50.04 75.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 0.0 111.1 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -66.11 -39.23 89.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.977 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -57.84 -50.41 73.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.58 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.516 HG21 ' HA ' ' A' ' 33' ' ' ILE . 26.2 mt -59.05 -42.83 87.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.506 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.829 ' CD1' HD23 ' A' ' 67' ' ' LEU . 68.1 t80 -56.28 -41.87 76.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.725 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.437 ' O ' ' CG ' ' A' ' 55' ' ' ARG . 3.8 m-85 -68.56 -32.5 72.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.371 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.72 -53.07 9.11 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.369 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.503 ' CD2' ' HA ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -80.3 6.2 12.66 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.88 179.189 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 52' ' ' TYR . 4.7 ppt_? -52.74 -25.53 11.44 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 122.203 -0.31 . . . . 0.0 111.489 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -20.42 53.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 111.051 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.9 t -81.82 -69.32 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.499 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.513 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -78.72 -84.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.714 -179.135 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--N 1.331 -0.219 0 CA-C-O 120.703 0.287 . . . . 0.0 111.52 -179.612 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.735 HG22 ' HB2' ' A' ' 66' ' ' GLN . 4.6 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.822 0.344 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.7 t -58.8 -29.14 39.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.634 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.43 -47.27 84.48 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.035 0.445 . . . . 0.0 110.009 179.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.735 ' HB2' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -60.58 -39.07 86.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.837 179.037 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.829 HD23 ' CD1' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -56.63 -48.62 77.11 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.272 179.198 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -63.37 -28.25 69.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.834 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -49.4 65.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.377 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.568 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -75.89 -31.01 59.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.075 0.464 . . . . 0.0 109.804 179.238 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.437 ' CZ2' HD13 ' A' ' 37' ' ' LEU . 33.5 t-105 -75.08 -31.92 61.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.687 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -79.35 -31.95 43.15 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.917 0.389 . . . . 0.0 110.493 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.81 -29.62 54.28 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.122 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.0 p -81.27 -38.08 27.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.765 0.317 . . . . 0.0 110.825 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -50.9 -40.54 57.0 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-O 120.968 0.413 . . . . 0.0 110.774 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.431 ' HG2' ' CD2' ' A' ' 58' ' ' TRP . 1.4 pp20? -63.06 -52.32 63.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.629 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.87 -33.63 70.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.589 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.41 ' HA ' HG22 ' A' ' 34' ' ' ILE . 39.7 mt-10 -70.34 -30.55 67.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.416 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.5 -37.69 74.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.566 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.852 HD13 HD22 ' A' ' 67' ' ' LEU . 6.2 mt -66.67 -48.72 79.34 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.618 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.41 HG22 ' HA ' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -59.0 -38.23 72.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.629 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -69.93 -35.3 74.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.109 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.65 -36.82 53.14 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.145 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.791 HD21 ' CE2' ' A' ' 47' ' ' PHE . 5.6 mp -73.16 -27.1 61.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.705 0.288 . . . . 0.0 110.849 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.59 -21.54 32.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.406 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.03 -56.34 2.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.974 0.416 . . . . 0.0 111.157 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.726 ' O ' HG23 ' A' ' 41' ' ' THR . 33.7 m-85 -84.73 117.06 23.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.904 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.726 HG23 ' O ' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -172.05 84.8 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.13 32.07 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.09 -175.0 26.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.555 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.52 -46.58 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.83 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -116.36 71.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.788 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -76.41 -24.1 54.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.103 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.791 ' CE2' HD21 ' A' ' 37' ' ' LEU . 95.6 m-85 -53.66 -46.91 70.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.334 . . . . 0.0 111.525 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -70.29 -46.68 63.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.326 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.59 -50.53 72.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.994 0.426 . . . . 0.0 110.599 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.839 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -60.51 -37.52 75.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.338 179.435 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.645 ' HD2' HD23 ' A' ' 67' ' ' LEU . 49.0 t80 -54.49 -45.84 73.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.65 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -68.21 -34.02 75.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.768 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.8 -52.14 47.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.49 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.499 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -78.28 -2.36 37.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.57 -179.923 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.18 84.98 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.735 0.302 . . . . 0.0 111.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER 176.69 38.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.823 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.446 HG23 ' N ' ' A' ' 58' ' ' TRP . 10.3 m -136.08 -46.73 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.446 ' N ' HG23 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -112.91 177.53 4.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 75.0 m80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.416 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 1.7 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.711 0.291 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.416 ' HB ' ' O ' ' A' ' 63' ' ' THR . 81.1 t 70.42 -52.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.623 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -43.0 98.14 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.454 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 18.7 mm-40 -64.97 -39.06 92.91 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.065 178.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.852 HD22 HD13 ' A' ' 33' ' ' ILE . 2.4 tm? -55.36 -49.18 72.93 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.034 178.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.402 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 4.3 m-30 -63.82 -28.37 69.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.986 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -67.09 -47.71 70.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.006 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.591 ' O ' HG23 ' A' ' 74' ' ' THR . 0.0 OUTLIER -77.31 -30.96 54.33 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 178.856 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -72.74 -33.79 66.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.664 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 68' ' ' TYR . 6.6 tpp85 -75.81 -43.37 46.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.013 0.435 . . . . 0.0 110.032 179.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.95 -28.91 74.05 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.971 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 70' ' ' HIS . 17.6 p -77.11 -38.69 51.69 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.881 0.372 . . . . 0.0 110.591 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.538 HD12 ' C ' ' A' ' 74' ' ' THR . 4.2 mp . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.2 -34.16 30.65 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.834 0.35 . . . . 0.0 110.754 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' O ' HG13 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -58.76 -47.01 86.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.796 179.761 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.43 -45.73 80.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.786 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.438 ' O ' HG13 ' A' ' 34' ' ' ILE . 1.9 tm-20 -61.23 -29.51 69.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.56 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.75 -30.03 61.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.622 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.785 HD13 HD21 ' A' ' 67' ' ' LEU . 1.4 mt -72.43 -46.54 55.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.653 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.747 HD12 ' N ' ' A' ' 35' ' ' LYS . 2.8 pp -63.24 -39.92 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.257 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.747 ' N ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -66.96 -33.65 76.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.893 178.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.534 ' HA3' HD11 ' A' ' 50' ' ' ILE . . . -73.64 -41.7 42.4 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.793 -0.717 . . . . 0.0 111.889 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.472 HD12 HG21 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -68.68 -22.94 64.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.929 0.395 . . . . 0.0 110.673 179.558 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.72 -28.84 36.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.61 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -99.0 -63.14 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 111.784 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.579 ' O ' HG23 ' A' ' 41' ' ' THR . 1.7 p90 -104.17 125.31 50.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.215 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.605 HG22 ' HB3' ' A' ' 46' ' ' ARG . 1.4 p -162.03 85.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.933 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -46.83 -40.15 13.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.286 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.22 -36.62 3.64 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.737 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -26.72 8.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.872 0.367 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 46' ' ' ARG . 0.3 OUTLIER -157.75 -66.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.64 179.856 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.605 ' HB3' HG22 ' A' ' 41' ' ' THR . 4.5 mtp85 87.86 -38.36 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -75.65 -50.45 15.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.082 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -70.72 -45.55 64.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -50.71 72.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.007 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.745 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -61.16 -37.73 78.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.044 0.449 . . . . 0.0 110.243 179.474 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.534 ' CD1' HD23 ' A' ' 67' ' ' LEU . 17.2 t80 -55.83 -49.41 73.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.442 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.421 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . 62.9 m-85 -68.28 -24.44 64.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.05 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.07 -52.39 24.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.774 0.321 . . . . 0.0 111.552 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.768 ' O ' HG12 ' A' ' 57' ' ' VAL . 1.7 p90 -78.73 0.46 26.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.892 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.421 ' HG3' ' HA ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -53.61 -22.81 9.34 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.55 0.214 . . . . 0.0 111.463 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 t -69.24 -34.42 74.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.675 0.274 . . . . 0.0 111.317 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.768 HG12 ' O ' ' A' ' 54' ' ' TYR . 10.9 p -84.34 -24.84 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.47 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -107.62 165.97 11.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.965 0.412 . . . . 0.0 111.121 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.142 -179.765 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.802 HG22 ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.747 0.308 . . . . 0.0 111.062 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.27 -34.7 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.965 0.412 . . . . 0.0 110.627 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.2 m -57.77 -42.68 84.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.173 0.511 . . . . 0.0 109.802 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.802 ' HB2' HG22 ' A' ' 63' ' ' THR . 16.0 tt0 -61.14 -32.17 71.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.037 178.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.785 HD21 HD13 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -62.69 -51.42 67.26 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.074 179.732 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -61.84 -27.9 69.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.059 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 66' ' ' GLN . 6.8 m-20 -67.28 -49.57 63.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.828 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.735 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.1 p-80 -80.5 -18.41 48.64 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.04 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.586 ' CZ3' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -85.58 -32.88 21.87 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 178.181 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.41 -32.24 54.6 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.29 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.46 -36.23 17.63 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.211 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.544 HG22 ' HA ' ' A' ' 71' ' ' TRP . 15.0 t -69.86 -45.53 67.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.731 0.3 . . . . 0.0 110.759 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.681 ' O ' HD13 ' A' ' 75' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 t -56.35 -23.11 35.26 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.087 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.01 -50.18 67.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.593 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -56.29 -31.8 64.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.685 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.428 ' HA ' HG12 ' A' ' 34' ' ' ILE . 35.3 mt-10 -70.45 -32.47 70.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.456 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.7 -32.7 65.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.178 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' A' ' 30' ' ' ASP . 3.4 mt -73.79 -40.06 53.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.576 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.428 HG12 ' HA ' ' A' ' 31' ' ' GLU . 31.9 pt -64.32 -41.07 91.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.634 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.423 ' N ' HG13 ' A' ' 34' ' ' ILE . 3.8 mtpt -66.34 -43.96 84.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.131 0.491 . . . . 0.0 109.76 179.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.609 ' HA3' HD11 ' A' ' 50' ' ' ILE . . . -62.72 -48.65 79.63 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.576 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.582 HD12 HG21 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -54.91 -35.4 64.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.787 0.327 . . . . 0.0 110.592 179.498 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.18 -30.23 70.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.976 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.409 ' O ' ' CD1' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -116.58 18.85 14.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.512 -179.835 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.616 ' O ' HG23 ' A' ' 41' ' ' THR . 44.1 m-85 -149.23 106.18 3.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.908 0.385 . . . . 0.0 110.846 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 40' ' ' PHE . 2.7 p -163.3 76.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.751 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.1 mmmt -125.38 43.38 3.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.014 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.9 -174.08 43.46 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.479 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -98.7 30.5 3.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -151.47 39.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.732 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.434 ' O ' HG22 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.59 -28.86 65.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.239 -179.877 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.406 ' O ' HG22 ' A' ' 50' ' ' ILE . 84.3 m-85 -62.01 -50.46 71.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.99 0.424 . . . . 0.0 111.196 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.59 -46.2 63.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.812 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -59.4 -50.43 73.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.96 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.803 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -60.75 -38.07 77.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.086 0.47 . . . . 0.0 110.455 179.602 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.999 ' CD1' HD23 ' A' ' 67' ' ' LEU . 17.6 t80 -54.17 -50.94 65.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.006 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -68.18 -29.09 67.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.129 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.86 -52.58 28.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 0.0 111.088 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.502 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -79.35 6.14 10.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.812 179.497 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 26.5 ptt180 -52.94 113.12 0.99 Allowed 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 121.177 0.513 . . . . 0.0 111.097 -179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 169.72 -36.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.051 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.487 HG23 ' HE1' ' A' ' 54' ' ' TYR . 13.3 m -99.19 15.47 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.991 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.411 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.6 OUTLIER 179.06 135.74 0.09 Allowed 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.49 -179.631 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 120.703 0.287 . . . . 0.0 111.376 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.492 ' OG1' ' N ' ' A' ' 64' ' ' VAL . 14.6 p . . . . . 0 C--O 1.232 0.144 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.492 ' N ' ' OG1' ' A' ' 63' ' ' THR . 4.8 t -49.29 -33.34 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.754 0.312 . . . . 0.0 110.76 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 t -67.62 -39.77 84.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.062 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -65.53 -32.54 74.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.094 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.999 HD23 ' CD1' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -65.09 -51.03 63.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.239 179.7 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -61.71 -28.33 69.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.192 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -71.55 -49.81 37.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.223 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.633 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.2 p-80 -81.04 -15.28 56.55 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.239 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.72 ' CZ3' HD23 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -86.75 -33.33 20.0 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.78 -31.84 52.14 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 121.032 0.444 . . . . 0.0 110.091 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.02 -40.56 16.35 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.173 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.8 m -67.43 -42.2 83.56 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 120.811 0.339 . . . . 0.0 110.718 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.72 HD23 ' CZ3' ' A' ' 71' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.332 -0.154 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.228 0 CA-C-O 120.51 0.195 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t 79.08 -29.8 0.15 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.491 ' O ' HG13 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -83.13 -43.79 15.83 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.246 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.43 ' O ' HG23 ' A' ' 34' ' ' ILE . 20.3 t0 -64.16 -30.31 71.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.276 179.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.422 ' O ' HG13 ' A' ' 34' ' ' ILE . 2.3 mm-40 -70.52 -29.58 66.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.524 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.99 -37.63 58.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.778 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.542 HG22 ' CD1' ' A' ' 37' ' ' LEU . 2.1 mt -72.16 -39.92 65.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.81 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.765 HD12 ' N ' ' A' ' 35' ' ' LYS . 2.8 pp -67.01 -39.08 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.516 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.765 ' N ' HD12 ' A' ' 34' ' ' ILE . 30.8 tttt -73.69 -39.53 64.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.161 0.505 . . . . 0.0 109.777 178.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.424 ' HA3' ' CG1' ' A' ' 50' ' ' ILE . . . -66.55 -44.24 90.43 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.347 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.542 ' CD1' HG22 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -69.54 -31.77 70.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.342 . . . . 0.0 110.559 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.52 -26.16 67.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.169 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.53 -30.52 8.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.563 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.693 ' O ' HG23 ' A' ' 41' ' ' THR . 68.4 m-85 -110.39 132.86 53.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.849 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -168.93 -39.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.5 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.4 66.7 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.0 0.428 . . . . 0.0 110.761 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.19 163.22 35.88 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.616 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.434 ' O ' ' CB ' ' A' ' 45' ' ' GLN . 24.8 tp60 -63.99 81.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.731 0.301 . . . . 0.0 110.319 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.434 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER 80.67 105.93 0.07 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.904 -179.704 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.486 ' HB3' ' HA ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -90.28 -24.46 20.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.33 -179.904 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.506 ' CE1' HD21 ' A' ' 37' ' ' LEU . 6.5 m-85 -65.97 -48.21 72.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.19 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.568 ' HG3' HG21 ' A' ' 64' ' ' VAL . 5.4 tt0 -70.14 -48.0 59.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.076 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -60.45 -50.23 74.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.268 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.78 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -59.7 -40.51 82.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.954 0.407 . . . . 0.0 111.11 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.888 ' CD1' HD23 ' A' ' 67' ' ' LEU . 40.3 t80 -60.18 -38.25 82.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.793 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -68.36 -39.19 81.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.63 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.59 -53.1 38.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.862 0.363 . . . . 0.0 111.077 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.498 ' O ' ' CD1' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -79.78 4.84 15.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.665 179.475 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -52.86 -23.96 8.1 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.591 0.234 . . . . 0.0 111.432 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.44 -24.34 30.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.712 0.292 . . . . 0.0 110.884 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 58' ' ' TRP . 79.8 t -102.57 158.07 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.03 0.443 . . . . 0.0 111.089 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.482 ' N ' HG12 ' A' ' 57' ' ' VAL . 10.1 t90 67.71 -71.07 0.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.385 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.008 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.676 HG22 ' OH ' ' A' ' 51' ' ' TYR . 11.5 t . . . . . 0 CA--C 1.524 -0.029 0 CA-C-O 120.772 0.32 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.568 HG21 ' HG3' ' A' ' 48' ' ' GLN . 95.3 t -51.23 -30.96 10.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.973 0.416 . . . . 0.0 110.0 179.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.6 m -59.66 -43.6 93.89 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.436 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 12.5 mt-30 -60.09 -36.95 78.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.418 178.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.888 HD23 ' CD1' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -55.03 -50.09 69.93 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.106 178.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.409 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 5.1 m-30 -62.18 -29.54 70.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.704 178.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.37 -49.86 69.97 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.487 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.604 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.68 -31.91 62.04 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.064 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.401 ' CH2' HD22 ' A' ' 75' ' ' LEU . 10.2 t90 -68.0 -29.1 68.04 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.128 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 68' ' ' TYR . 0.2 OUTLIER -79.28 -36.62 39.49 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.063 0.458 . . . . 0.0 109.9 179.032 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.81 -28.23 73.25 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.245 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.1 p -82.66 -45.46 14.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.932 0.396 . . . . 0.0 110.905 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.401 HD22 ' CH2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.114 0 N-CA-C 112.583 -0.207 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.58 155.0 64.11 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.567 2.178 . . . . 0.0 112.387 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.27 -149.78 19.87 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.553 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.9 t -82.56 -57.43 3.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.773 0.321 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 mt 62.57 -79.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 p 59.1 -177.37 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -109.88 -177.13 3.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -100.76 31.31 3.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.14 160.81 14.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -75.22 138.34 41.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 12' ' ' GLY . 11.2 p -123.0 -42.98 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.454 ' N ' HG13 ' A' ' 11' ' ' VAL . . . 68.7 -118.62 9.19 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.2 p -130.43 145.59 35.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.91 0.386 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.19 159.66 53.54 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.43 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 15' ' ' THR . 9.0 t -160.87 119.52 2.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.8 0.334 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.9 m -119.53 145.02 46.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.8 p -130.56 119.8 23.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.91 -82.32 0.16 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.488 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.62 142.0 32.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -139.78 159.38 42.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 60.14 30.13 19.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -100.71 126.77 47.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.739 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -74.16 -83.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 mttm 47.22 41.46 11.91 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.933 0.397 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.487 ' O ' ' N ' ' A' ' 27' ' ' ALA . 0.9 OUTLIER -48.17 137.92 10.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.242 179.303 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 t -67.68 65.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 25' ' ' PHE . . . 65.55 20.07 11.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.573 -178.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.418 ' CB ' ' HB3' ' A' ' 25' ' ' PHE . 4.8 t -61.73 -21.28 64.37 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-O 120.741 0.305 . . . . 0.0 111.197 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.41 ' O ' HG13 ' A' ' 33' ' ' ILE . 1.1 tt0 -55.57 -52.44 63.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -56.48 -32.32 64.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.419 ' HA ' HG12 ' A' ' 34' ' ' ILE . 18.2 mt-10 -69.99 -32.45 70.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.676 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.7 -35.41 70.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.075 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 29' ' ' GLU . 3.5 mt -70.79 -41.37 77.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.902 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.419 HG12 ' HA ' ' A' ' 31' ' ' GLU . 35.3 pt -65.23 -37.98 81.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.558 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.406 ' N ' HG13 ' A' ' 34' ' ' ILE . 15.4 tttt -71.66 -34.62 69.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.118 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.537 ' HA3' HD11 ' A' ' 50' ' ' ILE . . . -73.63 -39.74 48.21 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.245 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.722 HD12 HG21 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -74.8 -24.45 58.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.719 0.295 . . . . 0.0 110.989 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.03 -15.91 37.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.571 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -102.79 -51.28 3.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.78 0.324 . . . . 0.0 111.555 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.487 ' O ' HG23 ' A' ' 41' ' ' THR . 3.0 p90 -130.18 136.22 49.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 40' ' ' PHE . 22.8 p -159.0 33.37 0.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -80.79 85.38 6.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 170.35 154.61 9.59 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.565 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.75 -21.12 60.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.742 0.306 . . . . 0.0 111.183 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -142.4 85.1 1.89 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.635 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -24.23 61.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.493 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.512 ' CE1' HD21 ' A' ' 37' ' ' LEU . 26.4 m-85 -63.74 -50.41 69.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.786 0.327 . . . . 0.0 111.654 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -40.6 74.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.8 0.334 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -65.87 -49.53 67.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.793 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.814 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.62 -38.68 72.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.736 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.865 ' CD1' HD23 ' A' ' 67' ' ' LEU . 31.2 t80 -60.48 -46.79 88.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.624 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.461 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 28.0 m-85 -68.35 -23.49 64.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.51 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.82 -52.89 9.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 111.204 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.5 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -79.44 -0.61 33.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.865 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -53.27 105.7 0.14 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-O 121.053 0.454 . . . . 0.0 111.037 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 168.83 -33.4 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.732 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.2 m -74.16 -24.88 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.487 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.18 -78.29 0.58 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.25 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -151.06 108.03 3.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.108 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.22 93.35 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.589 2.192 . . . . 0.0 112.238 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -177.91 165.82 2.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.879 0.371 . . . . 0.0 111.2 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 -67.6 125.16 25.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.669 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.662 HG22 ' HB2' ' A' ' 66' ' ' GLN . 0.3 OUTLIER -165.55 39.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.915 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 85.0 t -56.03 -33.47 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.71 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.43 -50.44 73.58 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.132 0.492 . . . . 0.0 109.919 179.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.662 ' HB2' HG22 ' A' ' 63' ' ' THR . 4.2 mm100 -58.23 -37.54 75.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.777 178.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.865 HD23 ' CD1' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -56.61 -50.2 72.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.343 179.235 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -61.53 -28.75 69.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.085 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.39 -49.51 66.58 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.492 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.549 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -75.55 -32.34 60.38 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.312 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.408 ' HB2' ' O ' ' A' ' 67' ' ' LEU . 3.6 t-105 -72.35 -28.32 62.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.608 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -78.12 -39.96 39.65 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.963 0.411 . . . . 0.0 110.58 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -75.88 -27.69 62.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.441 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.3 m -78.56 -45.68 21.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.34 . . . . 0.0 110.863 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -59.12 -30.58 68.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -104.55 178.57 4.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -156.96 32.55 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.812 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -128.62 90.98 3.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.4 p -162.03 129.76 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.06 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.1 pt -129.26 49.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -103.95 -35.15 8.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.68 135.04 39.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -149.91 156.74 42.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.996 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.96 142.47 5.22 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.91 116.76 6.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.801 0.334 . . . . 0.0 111.004 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -158.71 35.46 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.788 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -128.11 28.55 4.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.557 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.8 tptt -160.63 94.17 1.04 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.842 0.354 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -148.63 -57.18 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 55.9 p -164.24 -48.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 16.6 m -97.3 138.38 22.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.166 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -110.69 108.68 18.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -116.25 147.6 41.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -86.71 174.09 9.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.71 149.35 17.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -69.35 175.09 8.22 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.578 2.185 . . . . 0.0 112.28 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.17 176.14 10.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.83 150.07 36.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -159.46 120.38 3.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.059 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.7 m -84.18 126.62 33.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -135.67 -47.31 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 5.8 mtt -147.04 105.36 3.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -130.62 93.41 3.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -111.94 147.14 36.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -129.53 -45.38 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.857 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.26 170.18 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.672 2.248 . . . . 0.0 112.265 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 177.59 -38.74 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.0 m -63.58 160.0 17.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.673 0.273 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mt -125.08 -48.14 1.75 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.871 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.86 88.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -110.18 37.76 2.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -95.47 -177.89 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.96 -80.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.158 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.75 130.47 44.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 12' ' ' GLY . 6.3 m -150.73 -47.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.43 ' N ' HG23 ' A' ' 11' ' ' VAL . . . 59.8 174.29 0.83 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.3 m -72.85 165.92 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.764 0.316 . . . . 0.0 111.165 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.75 -38.77 0.23 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.7 m -107.11 131.36 54.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.847 0.356 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 t -126.99 133.53 50.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 p -153.9 170.23 21.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.32 165.34 29.27 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.442 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.93 174.79 10.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -123.75 162.73 22.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -153.14 116.66 4.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -82.05 -176.88 6.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.807 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.426 ' CD2' ' HE2' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -158.73 117.41 2.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.096 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.426 ' HE2' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 59.78 67.32 0.89 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.192 0.52 . . . . 0.0 111.199 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.52 ' C ' ' H ' ' A' ' 27' ' ' ALA . 1.2 t80 -55.27 162.11 1.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.89 178.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.62 -1.58 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.583 0.23 . . . . 0.0 111.022 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.52 ' H ' ' C ' ' A' ' 25' ' ' PHE . . . -132.29 -15.37 2.88 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.996 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.1 m -49.45 -28.82 5.69 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.842 0.353 . . . . 0.0 110.841 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' HG3' ' CD1' ' A' ' 58' ' ' TRP . 1.4 tm-20 -58.14 -51.26 70.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.795 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -56.37 -37.23 69.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.899 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.68 -34.54 75.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.013 0.435 . . . . 0.0 110.332 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.43 -35.01 70.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.368 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.608 HD13 ' CD2' ' A' ' 67' ' ' LEU . 3.6 mt -68.11 -45.46 83.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.773 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 35' ' ' LYS . 29.0 pt -61.6 -39.75 84.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.659 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.4 ' N ' HG13 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -69.37 -41.33 76.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.115 0.483 . . . . 0.0 109.805 179.119 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.544 ' HA3' HD11 ' A' ' 50' ' ' ILE . . . -63.21 -46.23 93.53 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.81 -0.709 . . . . 0.0 111.896 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.493 HD11 HG22 ' A' ' 33' ' ' ILE . 6.3 mt -61.77 -36.5 81.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.946 0.403 . . . . 0.0 110.786 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.64 -34.24 72.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.173 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -100.99 -22.42 14.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.465 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.731 ' O ' HG23 ' A' ' 41' ' ' THR . 6.9 m-85 -108.0 125.41 51.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.773 0.32 . . . . 0.0 111.06 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -171.89 40.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.822 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.99 51.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.81 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -170.93 178.03 43.61 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.547 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -77.28 -30.79 54.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -126.95 75.87 1.61 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.561 ' O ' HG22 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -59.12 -26.4 64.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.463 ' CE1' ' NE1' ' A' ' 71' ' ' TRP . 27.8 m-85 -66.24 -44.68 83.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.817 0.341 . . . . 0.0 111.144 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -70.33 -48.84 54.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.766 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -50.56 73.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.845 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -62.08 -37.69 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.647 179.714 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.534 ' CD1' HD23 ' A' ' 67' ' ' LEU . 18.0 t80 -54.08 -51.99 62.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.865 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -68.33 -29.13 67.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.198 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.64 -52.05 35.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.546 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.445 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.7 OUTLIER -78.61 -0.61 30.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.611 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -53.76 91.56 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.109 0 CA-C-O 120.936 0.398 . . . . 0.0 111.012 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.4 p -174.08 -41.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.648 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 58' ' ' TRP . 27.2 m -65.96 -44.82 92.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.997 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.604 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -89.24 -161.22 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.555 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.09 113.68 62.72 Favored Pre-proline 0 C--N 1.332 -0.183 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.474 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.23 112.92 2.45 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.488 2.125 . . . . 0.0 112.549 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -166.41 29.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.415 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 50.1 97.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.153 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.95 58.67 1.36 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.338 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.8 t -57.77 -37.45 59.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.129 0.49 . . . . 0.0 109.908 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -41.81 79.12 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.43 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.4 OUTLIER -60.98 -37.54 82.82 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.34 178.515 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.608 ' CD2' HD13 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -54.33 -50.07 68.24 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.015 179.087 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -63.33 -28.44 70.01 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.739 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -49.63 67.71 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.291 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.572 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -75.0 -33.01 61.78 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.165 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.463 ' NE1' ' CE1' ' A' ' 47' ' ' PHE . 28.6 t-105 -71.25 -30.62 66.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.409 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -72.32 -48.0 45.47 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.119 0.485 . . . . 0.0 110.281 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.16 -32.54 84.48 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.094 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 57.9 m -73.66 -36.64 65.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.616 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.93 20.6 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -87.42 148.31 25.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.754 0.312 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.12 -63.41 0.19 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -169.19 126.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.622 HG23 HG12 ' A' ' 80' ' ' ILE . 19.2 m -140.22 -179.86 2.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.051 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.622 HG12 HG23 ' A' ' 79' ' ' VAL . 24.1 pt 41.59 68.02 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.787 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -119.58 29.74 7.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.53 86.23 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -93.18 -56.83 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.835 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.1 102.78 0.13 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.529 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -115.96 32.27 6.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -152.08 -46.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.06 -168.26 11.37 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.535 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.08 -40.74 4.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.737 0.303 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -132.61 -46.71 0.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.1 -170.68 0.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.3 m -145.98 162.01 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.12 111.59 19.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.033 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -156.97 166.19 34.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.32 154.63 20.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.412 ' HB3' ' HD3' ' A' ' 96' ' ' PRO . 0.8 OUTLIER 178.53 -57.87 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.652 179.865 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.412 ' HD3' ' HB3' ' A' ' 95' ' ' SER . 92.2 Cg_endo -83.37 48.32 2.63 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.693 2.262 . . . . 0.0 112.601 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -81.5 -47.51 13.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.827 0.346 . . . . 0.0 110.702 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.96 -22.64 27.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 65.76 93.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.921 0.391 . . . . 0.0 111.102 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 84.0 p -148.88 69.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -175.63 108.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 33.5 mtm -150.81 30.92 0.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 59.52 95.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -123.82 132.72 53.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -95.98 80.97 3.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.301 -0.856 . . . . 0.0 110.907 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.1 -45.81 1.29 Allowed 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.574 2.183 . . . . 0.0 112.364 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -112.19 123.79 6.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m -60.32 173.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.795 0.331 . . . . 0.0 110.941 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.9 mp -98.74 31.14 3.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.86 108.99 20.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.9 m120 60.53 173.93 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -84.14 141.49 31.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.968 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.99 166.38 9.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -97.76 37.89 1.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.86 143.18 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -102.54 -28.87 6.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.445 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.543 ' O ' HG12 ' A' ' 13' ' ' VAL . 14.4 t -97.74 35.41 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 111.172 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -111.3 -48.23 0.71 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.617 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.22 141.84 35.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.785 0.326 . . . . 0.0 110.963 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 p -173.23 -65.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.2 p -72.81 175.98 6.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.01 -63.18 0.13 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.505 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.63 132.76 39.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.832 0.348 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -175.83 89.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -160.84 145.08 13.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.15 147.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -177.17 117.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.08 55.99 3.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.058 0.456 . . . . 0.0 110.729 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.429 ' CB ' ' HB2' ' A' ' 28' ' ' SER . 0.1 OUTLIER -61.75 157.08 18.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.294 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.516 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 12.0 m -73.17 53.92 0.39 Allowed 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 26' ' ' SER . . . 167.64 -26.57 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.759 -178.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.429 ' HB2' ' CB ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -50.3 -31.65 14.92 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-O 120.808 0.337 . . . . 0.0 110.665 179.556 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.436 ' HB3' ' CD2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -56.28 -51.41 68.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.909 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -56.55 -35.37 68.05 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.979 0.418 . . . . 0.0 110.442 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.484 ' O ' HG13 ' A' ' 34' ' ' ILE . 2.9 mm-40 -68.42 -29.32 67.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.436 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.37 -32.82 62.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.811 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.871 HD13 ' CD2' ' A' ' 67' ' ' LEU . 3.7 mt -72.06 -44.81 65.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.702 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 31' ' ' GLU . 0.9 OUTLIER -64.71 -39.02 84.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.299 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.441 ' HG3' HD12 ' A' ' 34' ' ' ILE . 5.7 mtpm? -73.33 -39.01 65.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.114 0.483 . . . . 0.0 109.751 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.487 ' HA3' HD11 ' A' ' 50' ' ' ILE . . . -64.43 -45.22 93.86 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.687 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.914 HD12 HG21 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -61.52 -42.26 98.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.568 179.562 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.08 -17.52 64.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.55 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -124.53 34.88 4.92 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -137.69 -91.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.889 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.798 HG22 ' HD3' ' A' ' 46' ' ' ARG . 16.7 p 43.5 70.1 0.34 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.887 0.375 . . . . 0.0 111.5 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -118.27 37.4 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.81 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 158.84 -163.25 33.08 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.77 32.17 2.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.764 0.316 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.2 50.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.798 ' HD3' HG22 ' A' ' 41' ' ' THR . 0.1 OUTLIER -55.86 -27.81 53.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.548 ' HB3' HD12 ' A' ' 67' ' ' LEU . 31.3 m-85 -60.32 -48.15 82.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.31 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.19 -49.02 54.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.945 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -50.42 73.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.664 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.914 HG21 HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -59.05 -37.56 68.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.412 179.482 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.581 ' HD2' HD23 ' A' ' 67' ' ' LEU . 9.6 t80 -56.46 -44.45 80.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.601 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.421 ' CZ ' ' HB1' ' A' ' 61' ' ' ALA . 14.9 m-85 -67.3 -32.04 72.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.608 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.89 -52.24 45.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.385 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.714 ' O ' HG12 ' A' ' 57' ' ' VAL . 0.7 OUTLIER -78.67 -0.26 29.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.447 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.441 ' CG ' ' HA ' ' A' ' 60' ' ' PRO . 28.0 ttt180 -53.68 -23.11 10.45 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.421 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.55 -37.73 71.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.643 0.259 . . . . 0.0 111.424 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.714 HG12 ' O ' ' A' ' 54' ' ' TYR . 13.5 p -80.68 -18.87 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.721 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.436 ' CD2' ' HB3' ' A' ' 29' ' ' GLU . 1.8 t-105 -130.53 -164.82 1.47 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.869 0.366 . . . . 0.0 111.341 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -59.86 161.57 11.65 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.062 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.441 ' HA ' ' CG ' ' A' ' 55' ' ' ARG . 11.0 Cg_endo -54.19 -177.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.711 2.274 . . . . 0.0 112.357 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.421 ' HB1' ' CZ ' ' A' ' 52' ' ' TYR . . . -92.62 110.58 22.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.337 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 174.55 41.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.756 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.569 HG22 ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER -160.17 47.62 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.253 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 83.5 t -56.46 -34.31 40.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.965 0.412 . . . . 0.0 110.385 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 79.0 p -58.2 -43.83 87.8 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.569 ' HB2' HG22 ' A' ' 63' ' ' THR . 0.5 OUTLIER -61.14 -35.94 78.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.704 178.658 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.871 ' CD2' HD13 ' A' ' 33' ' ' ILE . 2.2 tm? -55.58 -50.53 69.84 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.058 179.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -62.94 -29.16 70.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.781 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.08 -49.33 67.97 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.271 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.597 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.3 -36.2 63.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.165 0.507 . . . . 0.0 109.841 179.349 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.443 ' HE1' HD13 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -70.92 -28.74 64.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.702 179.758 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -75.43 -41.27 56.35 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.952 0.406 . . . . 0.0 110.155 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.46 -37.04 93.93 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.952 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.6 p -74.05 -35.84 64.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.657 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.406 HD21 HE22 ' A' ' 81' ' ' GLN . 3.5 tp -175.52 81.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.043 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.5 ptt85 -75.99 115.43 15.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -77.35 124.56 28.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.07 -54.05 0.35 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.575 ' O ' HG22 ' A' ' 79' ' ' VAL . 12.1 p -158.49 48.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.989 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.558 HG23 ' O ' ' A' ' 80' ' ' ILE . 8.8 tp -148.62 43.64 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.406 HE22 HD21 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -163.9 119.56 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.863 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -91.91 93.52 8.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.94 -172.05 2.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.795 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 157.47 -106.91 0.3 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.586 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -77.69 179.46 6.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.786 0.327 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -156.13 96.82 1.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 177.31 37.93 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.579 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -136.69 31.88 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.782 0.325 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -123.82 31.77 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.764 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.5 t -90.54 163.08 14.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.8 p -99.92 -30.96 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -139.53 149.63 44.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -115.11 154.9 28.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -168.03 119.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.1 m -109.16 93.84 13.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.61 155.57 69.59 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.338 2.025 . . . . 0.0 112.262 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.51 150.48 26.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -105.78 30.81 5.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.808 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.13 29.79 7.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.0 t -176.8 37.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -62.43 148.32 45.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.71 175.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 60.75 54.42 3.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -137.46 139.27 40.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -131.78 147.35 52.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.868 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.68 -29.13 40.3 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.734 2.289 . . . . 0.0 112.193 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 109.84 27.75 4.48 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.58 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.09 157.88 38.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.884 0.373 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.535 HD23 ' H ' ' A' ' 5' ' ' LEU . 1.1 pt? -124.35 -39.08 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.46 167.83 9.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.376 . . . . 0.0 110.942 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -110.74 143.02 41.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -166.98 -63.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.26 -179.78 2.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.187 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -66.03 95.16 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.6 p -116.87 -38.1 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.26 -110.14 1.16 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.55 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.6 m -114.41 -39.74 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 110.961 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 147.94 44.51 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.547 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.3 t -179.6 71.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.932 0.396 . . . . 0.0 110.819 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.1 p -97.56 38.33 1.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.87 163.68 25.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.43 78.95 1.56 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.69 -173.36 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.858 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -147.87 129.23 14.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.35 170.39 15.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -134.88 -68.49 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 59.65 31.36 20.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.6 60.2 4.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 27' ' ' ALA . 5.1 m-85 -51.52 140.19 18.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.982 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -69.09 62.89 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 25' ' ' PHE . . . 64.09 23.64 13.27 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.229 -178.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.419 ' CB ' ' HB3' ' A' ' 25' ' ' PHE . 14.7 m -54.94 -32.29 61.17 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.141 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.482 ' O ' HG13 ' A' ' 33' ' ' ILE . 1.6 tt0 -60.16 -53.07 62.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.389 . . . . 0.0 110.526 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.51 -43.11 95.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.499 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.769 ' HG2' HD11 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -63.21 -29.75 71.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.478 179.587 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.04 -42.63 72.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.046 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.623 HD13 ' CD2' ' A' ' 67' ' ' LEU . 3.6 mt -64.63 -41.27 91.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.129 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.769 HD11 ' HG2' ' A' ' 31' ' ' GLU . 37.2 pt -65.67 -40.95 89.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.781 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.441 ' N ' HG13 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -66.84 -39.83 87.75 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.207 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.61 -49.65 67.66 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.485 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.688 HD22 HG21 ' A' ' 50' ' ' ILE . 1.2 mm? -55.29 -37.16 66.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 110.517 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.56 -19.43 62.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.324 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.402 ' O ' ' CD2' ' A' ' 40' ' ' PHE . 4.1 mtt180 -126.23 25.54 6.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.541 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.431 ' O ' HG23 ' A' ' 41' ' ' THR . 38.0 m-85 -162.53 91.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.817 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 40' ' ' PHE . 4.8 p -156.63 73.52 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -115.86 30.81 7.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 179.94 -157.08 19.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.547 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.03 -26.14 15.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 111.018 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -94.99 42.5 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.414 ' HG3' HD11 ' A' ' 37' ' ' LEU . 1.4 ptt180 -65.25 -42.45 93.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.444 ' O ' HG22 ' A' ' 50' ' ' ILE . 37.7 m-85 -63.11 -46.76 85.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.178 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.405 ' HG3' ' CG2' ' A' ' 64' ' ' VAL . 5.3 tt0 -70.17 -46.57 64.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.059 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -57.88 -50.36 73.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.907 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.773 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -60.97 -38.28 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.634 179.742 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.761 ' OH ' HG22 ' A' ' 63' ' ' THR . 31.1 t80 -60.57 -41.35 94.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.634 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -68.37 -34.83 76.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.315 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.74 -52.74 18.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.96 0.409 . . . . 0.0 110.928 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.466 ' CD2' ' HA ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -79.38 1.77 24.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.575 179.423 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.23 -25.65 14.92 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-O 120.739 0.304 . . . . 0.0 111.24 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 86.6 p -56.99 -25.25 58.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.731 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 43.5 t -80.84 -57.69 4.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.046 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.482 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -57.77 -166.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.967 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.467 ' CB ' ' CD ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -107.99 -67.18 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.371 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' A' ' 59' ' ' HIS . 60.8 Cg_endo -72.98 179.21 5.58 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.179 1.919 . . . . 0.0 112.455 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -146.43 43.53 1.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -166.62 39.39 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.654 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.761 HG22 ' OH ' ' A' ' 51' ' ' TYR . 6.6 t -125.65 46.56 2.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.94 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.405 ' CG2' ' HG3' ' A' ' 48' ' ' GLN . 59.7 t -55.18 -35.89 37.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.512 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 m -57.06 -45.17 83.45 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.349 0.595 . . . . 0.0 109.551 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.438 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 58.6 mm-40 -60.19 -35.35 75.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.521 178.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.623 ' CD2' HD13 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -55.38 -50.14 70.47 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.175 179.063 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.11 -28.43 70.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.604 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -49.41 68.01 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.654 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.584 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.77 -31.87 61.89 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.132 179.631 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -76.19 -30.62 58.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -38.73 56.88 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.981 0.42 . . . . 0.0 110.467 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -72.49 -34.13 60.55 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.15 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.2 p -71.57 -42.43 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 110.668 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.09 9.86 26.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.225 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 60.3 165.15 0.07 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.865 0.364 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.62 134.17 56.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.04 118.65 22.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.7 m -85.47 -22.58 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.282 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.8 mm 68.44 139.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.08 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 59.97 26.54 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 179.56 -168.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.702 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.03 -40.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -130.11 120.71 3.15 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.74 160.45 25.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.803 0.335 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -90.86 145.48 24.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.06 -152.74 0.16 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.59 -47.86 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -104.7 154.76 19.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.8 t -137.17 -47.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.81 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.488 HG22 ' N ' ' A' ' 92' ' ' ALA . 11.0 p -62.9 158.71 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.063 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.488 ' N ' HG22 ' A' ' 91' ' ' VAL . . . 61.97 168.6 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -124.33 121.81 35.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -162.17 30.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 m -83.06 136.97 43.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.67 101.55 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.572 2.181 . . . . 0.0 112.21 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 59.66 104.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.96 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -118.72 -66.37 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -175.05 -49.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.035 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.8 t 60.5 107.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -142.79 -59.31 0.44 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.96 179.16 4.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 68.69 -67.79 0.2 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.04 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -106.13 100.41 9.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -102.26 36.35 2.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.89 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.118 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 -20.2 35.41 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.631 2.221 . . . . 0.0 112.464 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.66 167.52 3.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.611 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.02 174.36 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.641 0.258 . . . . 0.0 111.02 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.6 mt -93.83 172.0 8.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -106.25 -34.09 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -133.92 96.23 3.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -110.48 166.3 11.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.17 -45.28 1.85 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.054 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -86.84 171.72 10.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t 61.4 103.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.8 -138.86 2.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.445 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.1 t -108.78 152.81 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.834 0.35 . . . . 0.0 111.063 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.77 28.65 7.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.524 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 15' ' ' THR . 6.1 t -150.24 90.17 1.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.806 0.336 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.5 t -77.45 -44.92 27.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.973 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 p -158.56 146.45 18.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -109.69 -101.78 2.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.533 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 62.7 38.36 12.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.347 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -170.74 74.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -167.18 114.21 0.78 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 60.22 33.83 21.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -31.65 70.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -100.95 119.45 38.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.284 0.564 . . . . 0.0 111.02 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.444 ' C ' ' H ' ' A' ' 27' ' ' ALA . 2.7 t80 -146.22 161.8 39.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.338 -0.847 . . . . 0.0 109.868 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.584 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 1.3 t -70.8 47.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 26' ' ' SER . . . 164.94 -22.09 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.604 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.406 ' HB2' ' N ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -57.38 -29.09 63.77 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.837 0.351 . . . . 0.0 111.116 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' O ' HG13 ' A' ' 33' ' ' ILE . 2.5 pp20? -58.89 -49.5 77.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -56.29 -30.07 62.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.768 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.44 ' HA ' HG12 ' A' ' 34' ' ' ILE . 59.6 tt0 -71.89 -32.31 67.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.076 0.465 . . . . 0.0 110.476 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.58 -33.38 66.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.069 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 29' ' ' GLU . 6.4 mt -73.47 -41.26 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.946 0.403 . . . . 0.0 110.607 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.44 HG12 ' HA ' ' A' ' 31' ' ' GLU . 40.8 pt -64.6 -38.22 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.575 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.423 ' N ' HG13 ' A' ' 34' ' ' ILE . 14.8 tttt -71.73 -38.39 70.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.074 0.464 . . . . 0.0 110.023 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.407 ' HA3' ' CG1' ' A' ' 50' ' ' ILE . . . -70.24 -38.51 71.84 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.896 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.493 HD21 ' HA ' ' A' ' 47' ' ' PHE . 40.9 mt -68.28 -33.62 74.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.902 0.382 . . . . 0.0 110.79 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.94 -23.94 60.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.39 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.03 -28.13 12.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.505 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -108.52 118.09 35.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.828 0.347 . . . . 0.0 111.068 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.446 ' HA ' ' HG2' ' A' ' 46' ' ' ARG . 0.6 OUTLIER -158.25 64.89 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.996 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.64 29.5 7.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.06 -151.11 5.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.53 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -112.65 -30.36 7.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.716 0.293 . . . . 0.0 111.06 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -115.37 70.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.919 0.39 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' HG2' ' HA ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -58.51 -28.37 65.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.493 ' HA ' HD21 ' A' ' 37' ' ' LEU . 25.5 m-85 -60.61 -47.31 86.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.906 0.384 . . . . 0.0 111.249 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -69.97 -48.46 58.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.801 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -57.84 -50.24 73.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.834 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -59.7 -38.51 76.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.715 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.865 ' CD1' HD23 ' A' ' 67' ' ' LEU . 36.2 t80 -60.22 -37.31 79.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.676 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -65.52 -50.75 64.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.746 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.26 -45.49 91.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.909 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.493 ' HB3' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -78.02 -4.35 46.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.07 179.705 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -54.83 91.52 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.878 0.37 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 p 177.29 -37.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.591 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.475 ' HB ' ' CE2' ' A' ' 54' ' ' TYR . 53.4 t -66.59 -67.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.091 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.431 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -113.62 120.66 41.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.231 -179.551 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 58.16 69.57 1.47 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -65.73 71.71 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.782 2.321 . . . . 0.0 112.284 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -176.48 175.64 1.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.192 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -59.82 109.2 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.539 HG22 ' CG ' ' A' ' 66' ' ' GLN . 0.2 OUTLIER -163.11 38.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.029 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.6 p -54.12 -32.88 23.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.991 0.424 . . . . 0.0 110.516 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.7 m -58.55 -39.98 81.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.015 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.539 ' CG ' HG22 ' A' ' 63' ' ' THR . 25.8 mm-40 -63.04 -32.74 74.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.972 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.865 HD23 ' CD1' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -62.6 -50.56 70.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.964 179.489 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -62.41 -27.94 69.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.04 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -68.84 -50.22 51.84 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.492 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.667 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.1 p-80 -82.42 -16.08 50.29 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.416 -0.513 . . . . 0.0 110.135 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.435 ' CZ2' ' CE1' ' A' ' 47' ' ' PHE . 27.0 t-105 -82.32 -33.55 28.92 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -39.5 60.24 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.937 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -70.48 -38.3 69.34 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.983 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.2 m -70.73 -34.46 71.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.874 0.369 . . . . 0.0 110.596 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.2 tt -54.63 -41.15 69.7 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.47 92.35 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.786 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -109.2 45.19 1.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.021 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.6 tttt 59.63 30.77 20.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.009 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 80' ' ' ILE . 21.3 t 61.1 155.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.207 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.445 HG22 ' N ' ' A' ' 81' ' ' GLN . 3.2 mp -72.64 156.53 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.068 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.445 ' N ' HG22 ' A' ' 80' ' ' ILE . 61.8 mm-40 -61.86 147.87 45.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -163.45 88.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -121.87 166.46 14.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.31 165.26 9.7 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.474 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -121.2 30.37 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.372 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.1 151.78 42.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.59 -22.11 70.64 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.673 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.42 98.46 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.844 0.354 . . . . 0.0 110.871 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -152.13 168.05 26.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.8 p -141.4 -175.54 4.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 91' ' ' VAL . 15.5 m -142.16 114.86 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.079 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.08 96.84 1.81 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -130.26 130.61 44.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -87.24 -80.22 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.43 ' CB ' ' HD3' ' A' ' 96' ' ' PRO . 0.2 OUTLIER -94.73 -54.41 0.23 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.121 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.43 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 52.0 Cg_exo -54.51 133.73 58.08 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.343 2.029 . . . . 0.0 112.261 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -154.48 178.69 9.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -75.52 106.26 6.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 61.11 58.1 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.44 36.44 3.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -145.11 -177.05 5.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.59 162.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -153.73 154.0 33.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 62.94 146.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 13.6 t30 59.96 31.62 20.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.85 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -51.98 101.5 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.605 2.203 . . . . 0.0 112.35 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 172.93 68.48 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.556 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.9 144.53 50.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt 60.57 107.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -86.94 112.73 22.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 60.3 169.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -105.41 155.12 19.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.63 36.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.167 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -61.78 -66.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.9 p -126.52 145.46 34.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.042 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.79 -72.21 0.23 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.568 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.483 HG12 ' N ' ' A' ' 14' ' ' GLY . 21.3 t -119.32 159.03 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.741 0.305 . . . . 0.0 111.118 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.483 ' N ' HG12 ' A' ' 13' ' ' VAL . . . 63.34 98.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.383 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.5 m -134.87 -45.26 0.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.81 0.338 . . . . 0.0 111.093 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -98.46 157.78 16.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 t 70.3 -64.27 0.37 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.41 65.8 0.57 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.768 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 176.72 39.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.837 0.351 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -122.12 90.4 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.89 87.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.975 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -169.64 167.1 9.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.91 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 61.18 111.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.96 65.91 0.36 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.421 ' HB2' ' CB ' ' A' ' 28' ' ' SER . 0.6 OUTLIER -60.97 155.29 20.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.036 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.522 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 1.3 m -73.04 52.01 0.32 Allowed 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 26' ' ' SER . . . 168.53 -26.53 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.978 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.421 ' CB ' ' HB2' ' A' ' 25' ' ' PHE . 1.9 t -51.94 -29.1 18.9 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-O 120.825 0.345 . . . . 0.0 110.782 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' HG13 ' A' ' 33' ' ' ILE . 1.5 tt0 -64.62 -50.63 66.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.689 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.36 -29.47 61.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.765 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.435 ' HA ' HG12 ' A' ' 34' ' ' ILE . 12.7 mm-40 -67.31 -36.59 81.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.109 0.481 . . . . 0.0 110.496 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.02 -35.03 71.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.917 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.701 HD13 ' CD2' ' A' ' 67' ' ' LEU . 5.0 mt -71.32 -41.01 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.939 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.435 HG12 ' HA ' ' A' ' 31' ' ' GLU . 40.1 pt -65.71 -36.48 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -36.35 66.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.24 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.411 ' HA3' HG13 ' A' ' 50' ' ' ILE . . . -64.54 -51.25 53.81 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.335 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.527 HD12 HG21 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -70.38 -31.73 69.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.942 0.401 . . . . 0.0 110.814 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.85 -25.84 68.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.087 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -98.88 -42.7 7.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.456 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.476 ' CE2' HG12 ' A' ' 50' ' ' ILE . 32.4 p90 -143.58 129.7 19.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.829 0.347 . . . . 0.0 111.481 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 37' ' ' LEU . 8.5 t 177.51 55.84 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.739 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -103.5 49.27 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.04 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.24 11.59 3.56 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.792 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.31 24.2 3.69 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.689 0.28 . . . . 0.0 111.205 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -178.59 38.21 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.752 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -72.98 -23.3 60.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.442 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.505 ' CD1' HD21 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -44.65 -42.06 7.18 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.662 0.267 . . . . 0.0 111.591 -179.033 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -70.31 -52.49 22.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.814 0.34 . . . . 0.0 111.283 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.68 -50.36 73.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.984 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.533 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -58.33 -39.5 74.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.533 179.789 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.51 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 38.6 t80 -54.74 -49.16 71.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.42 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -68.38 -27.61 66.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.003 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.34 -52.17 20.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.32 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.51 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -78.39 -0.83 30.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.417 179.765 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.565 HH11 ' HB1' ' A' ' 61' ' ' ALA . 1.1 ttm180 -53.14 93.17 0.01 OUTLIER 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.823 0.344 . . . . 0.0 111.094 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.5 p -177.41 -40.46 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.639 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.453 HG22 ' HD1' ' A' ' 54' ' ' TYR . 29.2 m -65.69 -29.57 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.447 ' CG ' ' HD2' ' A' ' 60' ' ' PRO . 0.7 OUTLIER -113.16 146.27 39.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.402 ' N ' ' CD ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -62.04 -53.41 59.66 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.071 -179.835 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.447 ' HD2' ' CG ' ' A' ' 58' ' ' TRP . 76.9 Cg_exo -49.78 142.7 24.8 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.591 2.194 . . . . 0.0 112.415 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.565 ' HB1' HH11 ' A' ' 55' ' ' ARG . . . -131.72 34.77 3.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.089 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.24 90.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.42 HG22 ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER -164.5 49.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.6 t -54.45 -37.26 37.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.64 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.32 -47.73 84.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.328 0.585 . . . . 0.0 109.491 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.433 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 4.6 mm-40 -59.58 -35.66 74.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.519 178.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.701 ' CD2' HD13 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -54.79 -50.11 69.32 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.159 179.087 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -63.34 -28.56 70.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.556 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -49.58 69.41 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.554 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.595 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.52 -33.29 62.74 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.788 179.507 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -72.79 -28.56 62.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.597 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.66 -41.29 54.38 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.01 0.433 . . . . 0.0 110.51 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -72.86 -28.26 67.29 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.282 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.0 p -78.61 -37.16 42.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.837 0.351 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.485 ' O ' HD13 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -76.0 -24.67 55.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.107 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? 60.91 77.19 0.34 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.662 ' CD2' HD11 ' A' ' 80' ' ' ILE . 15.9 m-85 58.91 174.52 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.566 ' O ' HG13 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -66.53 -68.09 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.861 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 78' ' ' LYS . 4.5 m -159.59 33.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.662 HD11 ' CD2' ' A' ' 77' ' ' TYR . 1.3 pp -126.9 31.76 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.63 126.46 11.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.38 -43.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -52.2 109.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.028 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -152.99 140.46 7.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.464 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -118.66 33.78 5.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.88 0.372 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -109.53 -66.43 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 133.02 143.41 5.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.557 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.31 -178.69 4.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 60.59 32.12 20.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.59 137.06 41.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 28.7 m -72.07 151.29 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.19 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.8 104.56 2.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -123.93 150.55 44.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -167.69 -43.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.37 101.13 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.66 101.98 0.7 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.441 2.094 . . . . 0.0 112.249 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -152.64 131.5 12.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.814 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.37 -25.86 11.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.057 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 64.99 110.69 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 m 61.58 114.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 36.8 p-10 -130.23 118.53 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.828 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.0 ttp -131.34 -58.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -126.89 -45.23 1.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.2 t30 60.86 37.57 18.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -151.04 96.95 2.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.872 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.603 -0.199 . . . . 0.0 112.603 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.54 -170.82 0.72 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.599 2.199 . . . . 0.0 112.3 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 91.48 134.24 6.16 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.76 159.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.847 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.43 68.86 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -120.31 -39.86 2.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.972 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 63.66 129.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.967 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -77.74 150.83 34.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.16 138.05 6.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.663 ' O ' HG12 ' A' ' 11' ' ' VAL . 4.4 m120 -99.14 36.82 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.663 HG12 ' O ' ' A' ' 10' ' ' ASN . 7.6 p 51.44 161.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.014 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.486 ' N ' HG22 ' A' ' 11' ' ' VAL . . . 170.07 -159.54 32.11 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.612 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.7 m -110.46 28.1 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.738 0.304 . . . . 0.0 111.164 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 123.76 68.3 0.21 Allowed Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.509 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.1 p 54.8 49.97 16.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.888 0.375 . . . . 0.0 111.045 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.2 104.68 8.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 m -139.48 100.31 3.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.35 106.59 3.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.462 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -90.32 -65.38 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.78 -170.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.786 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -102.24 169.35 8.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -146.28 125.69 13.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.63 -45.65 6.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.016 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.19 69.14 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.468 ' O ' ' N ' ' A' ' 27' ' ' ALA . 39.4 m-85 -50.18 142.2 10.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.992 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.13 61.92 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 25' ' ' PHE . . . 65.04 22.15 12.35 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.385 -178.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.438 ' CB ' ' HB3' ' A' ' 25' ' ' PHE . 7.9 t -59.2 -38.64 80.39 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-O 120.837 0.351 . . . . 0.0 111.078 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.441 ' O ' HG13 ' A' ' 33' ' ' ILE . 1.9 pt-20 -58.97 -52.65 64.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.055 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.11 -40.1 94.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.43 ' O ' HG13 ' A' ' 34' ' ' ILE . 4.8 tt0 -60.76 -29.64 69.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.691 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.47 -38.8 54.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.803 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.717 HD13 HD21 ' A' ' 67' ' ' LEU . 1.2 mt -71.89 -37.93 63.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.959 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.748 HD12 ' N ' ' A' ' 35' ' ' LYS . 2.8 pp -69.15 -38.97 78.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.959 0.409 . . . . 0.0 110.161 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.748 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 tmtm? -72.56 -41.42 65.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.558 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.49 -48.4 85.09 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.639 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.405 HD12 HG21 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -58.28 -42.5 86.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.847 0.356 . . . . 0.0 110.356 179.362 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.72 -29.42 59.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.987 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.406 ' O ' ' CG ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -117.94 27.59 8.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.254 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.59 ' O ' HG23 ' A' ' 41' ' ' THR . 35.1 m-85 -160.21 93.14 1.03 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.821 0.343 . . . . 0.0 110.853 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 40' ' ' PHE . 6.5 p -161.99 77.46 0.51 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.09 -36.52 5.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.16 -161.76 17.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.534 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -99.91 32.72 2.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.751 0.31 . . . . 0.0 110.95 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -156.66 78.24 0.92 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.984 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.8 -28.5 12.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.805 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.459 ' O ' HG22 ' A' ' 50' ' ' ILE . 39.4 m-85 -63.95 -50.03 70.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -42.86 71.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.844 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -62.73 -50.44 71.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.813 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -59.07 -38.37 73.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.068 0.461 . . . . 0.0 110.595 179.755 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.8 ' CD1' HD23 ' A' ' 67' ' ' LEU . 64.7 t80 -60.42 -39.96 89.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.749 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -68.33 -36.09 78.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.44 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.04 -52.65 22.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.921 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.484 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -79.3 0.85 27.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.213 179.288 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.06 94.04 0.01 OUTLIER 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.942 0.401 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.81 -35.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.579 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.8 t -77.39 -58.35 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.156 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.482 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -68.77 -74.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.937 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -158.66 111.6 1.64 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.088 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.73 76.03 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.431 2.087 . . . . 0.0 112.275 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -176.01 164.2 2.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.173 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.7 mtm-85 -59.61 120.5 9.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.87 HG22 ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER -162.07 37.58 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.958 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.5 t -60.12 -35.41 61.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.0 m -59.63 -50.01 75.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.174 0.511 . . . . 0.0 110.178 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.87 ' HB2' HG22 ' A' ' 63' ' ' THR . 1.6 tt0 -60.49 -32.09 71.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.911 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.8 HD23 ' CD1' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -64.59 -50.74 66.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.474 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.41 ' CE1' ' HB2' ' A' ' 47' ' ' PHE . 3.9 m-30 -61.3 -28.05 68.92 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.819 179.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 66' ' ' GLN . 7.5 m-20 -66.2 -50.02 65.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.569 -0.742 . . . . 0.0 112.114 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.67 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.2 p-80 -79.84 -15.29 57.68 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.298 -0.561 . . . . 0.0 111.114 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.468 ' HA ' ' CE3' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -86.56 -32.02 20.9 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 177.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -77.21 -32.78 56.19 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.075 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.53 -40.44 12.83 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.168 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.9 m -67.26 -44.25 79.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.84 0.352 . . . . 0.0 110.623 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.2 -65.69 0.99 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.789 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 58.76 178.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.965 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 61.37 98.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.51 -35.07 5.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 80' ' ' ILE . 11.1 p -129.27 158.55 41.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.154 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.486 ' N ' HG22 ' A' ' 79' ' ' VAL . 22.4 mt -145.52 139.3 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.055 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 60.84 112.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -156.12 166.31 33.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.787 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.7 163.38 27.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -108.33 -166.23 21.16 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -158.72 144.69 16.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -100.07 114.38 27.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -164.75 47.62 0.29 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.46 90.06 7.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -115.62 -68.13 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.99 122.92 6.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.94 -30.99 13.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.35 143.06 58.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.177 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -173.38 178.25 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -112.72 25.14 11.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.414 ' CB ' ' CD ' ' A' ' 96' ' ' PRO . 1.7 t 179.57 -61.66 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.733 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 95' ' ' SER . 55.5 Cg_endo -69.66 80.31 0.86 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.545 2.163 . . . . 0.0 112.253 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -94.75 -63.05 1.22 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.814 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.18 142.51 48.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 62.07 112.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.7 t -170.09 104.51 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -155.39 173.21 16.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.74 32.24 5.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -93.59 103.27 15.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -125.7 168.26 14.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -113.84 105.58 13.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.958 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.145 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.4 -178.79 2.36 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.612 2.208 . . . . 0.0 112.267 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 162.58 -47.07 0.34 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.473 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.37 -78.65 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.765 0.317 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -151.49 105.51 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.968 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m 60.54 93.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -151.19 31.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.794 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -126.53 -45.05 1.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.48 115.98 9.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -72.46 118.37 15.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t 61.38 112.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.1 -137.77 8.81 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.506 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.4 t -66.84 -30.94 51.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.806 0.336 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.31 102.68 0.9 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.559 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.9 t -91.33 164.8 13.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.8 t 61.16 107.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.9 t -104.03 31.86 4.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -99.46 -151.6 26.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.429 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -144.79 -66.6 0.33 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.877 0.37 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -100.23 153.35 19.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -176.44 42.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.82 31.45 0.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -113.61 -55.58 2.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.13 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -158.72 149.67 20.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.162 0.506 . . . . 0.0 110.823 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.432 ' C ' ' H ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER 176.72 161.79 0.4 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.2 -179.669 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 23.8 p -71.78 47.42 0.14 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 26' ' ' SER . . . 167.35 -23.87 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.365 -179.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.407 ' HB3' ' N ' ' A' ' 25' ' ' PHE . 7.8 t -51.16 -47.13 62.21 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.827 0.346 . . . . 0.0 110.888 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -63.6 -43.45 96.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.321 179.561 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.431 ' N ' ' HG2' ' A' ' 29' ' ' GLU . 8.3 m-20 -60.33 -36.61 78.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.51 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.426 ' HA ' HG22 ' A' ' 34' ' ' ILE . 82.0 mt-10 -68.94 -29.87 68.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.482 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.51 77.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.403 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.816 HD13 ' CD2' ' A' ' 67' ' ' LEU . 5.5 mt -64.3 -50.78 75.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.59 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.587 ' HA ' HD12 ' A' ' 37' ' ' LEU . 6.5 tp -58.82 -40.25 79.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.722 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -33.5 68.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.119 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.04 -42.5 84.64 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.992 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.635 ' O ' HG23 ' A' ' 41' ' ' THR . 2.1 mt -67.21 -39.94 86.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.8 0.334 . . . . 0.0 110.806 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.36 -14.55 61.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.782 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.37 -21.59 11.3 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -90.58 -87.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.573 0.225 . . . . 0.0 111.039 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 37' ' ' LEU . 1.5 p 46.15 43.99 11.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.832 0.348 . . . . 0.0 111.32 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.74 38.93 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.025 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 162.33 -166.54 36.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -103.48 37.67 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -169.35 41.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -25.88 43.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.479 ' O ' HG22 ' A' ' 50' ' ' ILE . 60.0 m-85 -60.48 -49.49 77.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.903 0.382 . . . . 0.0 110.961 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -44.93 67.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.745 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.55 -50.57 73.31 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.806 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.741 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -59.96 -37.56 72.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.969 0.414 . . . . 0.0 110.332 179.42 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.664 ' HD1' HD23 ' A' ' 67' ' ' LEU . 60.4 t80 -53.04 -52.94 56.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.411 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.457 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . 31.5 m-85 -66.1 -25.72 67.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.583 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.8 -51.53 32.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.959 0.409 . . . . 0.0 110.852 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.541 ' O ' HG12 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -78.54 5.11 11.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.073 -179.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.457 ' HG3' ' HA ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -52.86 -23.29 6.73 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.249 -0.282 . . . . 0.0 111.255 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 90.4 p -78.65 -59.99 2.56 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.617 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 54' ' ' TYR . 12.3 p -47.67 -31.62 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.701 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.407 ' HB3' ' HD3' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -115.7 -159.86 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.597 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.531 ' N ' ' HD3' ' A' ' 60' ' ' PRO . 28.1 m80 -132.84 55.12 15.68 Favored Pre-proline 0 CA--C 1.53 0.198 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.531 ' HD3' ' N ' ' A' ' 59' ' ' HIS . 87.1 Cg_endo -92.25 -165.06 0.14 Allowed 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 122.857 2.371 . . . . 0.0 112.195 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -159.19 -67.17 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.001 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.9 ptt85 -154.52 49.24 0.6 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.379 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.507 ' HB ' ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER -108.38 65.06 0.62 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.286 -179.578 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 67' ' ' LEU . 63.3 t -56.63 -33.27 39.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.133 0.492 . . . . 0.0 109.744 178.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.6 t -60.52 -40.3 90.94 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.507 ' HB2' ' HB ' ' A' ' 63' ' ' THR . 2.9 mm100 -63.05 -37.87 88.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.516 178.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.816 ' CD2' HD13 ' A' ' 33' ' ' ILE . 3.1 tm? -53.94 -49.17 69.29 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.636 178.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.66 -28.71 70.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.713 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.43 -49.51 66.51 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.106 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.52 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -76.74 -30.92 56.81 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 46.5 t90 -71.73 -33.34 68.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.267 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.404 ' HG3' ' HB3' ' A' ' 76' ' ' ARG . 1.9 ttt85 -76.07 -39.64 54.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.22 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.26 -28.39 72.73 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.213 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 48.5 m -77.79 -42.11 35.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.808 0.337 . . . . 0.0 110.631 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.8 tp -158.48 81.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.404 ' HB3' ' HG3' ' A' ' 72' ' ' ARG . 19.2 ptt180 -77.79 -178.87 5.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -154.09 135.76 14.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.811 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -157.48 79.4 0.88 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.68 98.92 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.075 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 11.2 pt -141.64 119.26 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.098 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.91 87.0 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -122.45 108.83 13.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -111.47 -33.87 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -178.37 140.08 4.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.516 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -150.09 36.28 0.68 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.802 0.334 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.2 ptp85 -167.94 111.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.763 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 178.35 -36.48 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.408 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -83.56 91.2 7.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 60.85 92.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.829 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 m -78.47 -35.35 46.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.3 m -107.13 124.69 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.187 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -139.15 -177.23 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -111.0 -175.24 2.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -152.2 175.87 12.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.42 166.21 11.93 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.784 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.19 139.99 47.87 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.504 2.136 . . . . 0.0 112.286 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.13 108.15 4.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.75 107.69 17.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.76 -178.67 5.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.09 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.8 t -119.8 167.9 11.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -146.37 91.01 2.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 56.6 mtt -136.87 177.93 7.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 60.68 100.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.819 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -153.97 156.36 37.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.39 152.49 38.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.868 -179.952 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.151 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.62 62.89 2.98 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.488 2.125 . . . . 0.0 112.317 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 84.92 166.23 41.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.536 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.5 p -176.48 -43.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.935 0.397 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tt -138.18 -47.67 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.821 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.4 p -84.97 130.72 34.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 60.45 164.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.825 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -135.6 94.96 3.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.23 77.29 1.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -155.86 -45.02 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.9 p -55.71 138.31 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.86 -36.6 3.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.51 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.9 m 41.61 74.69 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.809 0.338 . . . . 0.0 111.773 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.81 143.94 45.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.5 m -67.48 116.64 8.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.349 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.76 165.78 26.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.74 -172.52 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -145.78 117.59 1.0 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -172.66 171.42 4.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.714 0.293 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -121.77 -77.57 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.31 -79.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 mtt-85 -141.1 136.68 32.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.54 -77.72 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt 170.58 47.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.987 0.423 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.469 ' O ' ' N ' ' A' ' 27' ' ' ALA . 15.6 p90 -48.99 134.32 17.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.719 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.32 61.73 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' PHE . . . 59.74 27.39 16.66 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.257 -178.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' A' ' 29' ' ' GLU . 51.9 p -56.86 -65.65 0.58 Allowed 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.026 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.436 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -56.0 -46.9 78.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.142 0.496 . . . . 0.0 110.295 179.572 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.456 ' O ' HG23 ' A' ' 34' ' ' ILE . 35.5 t70 -58.9 -31.02 68.23 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.627 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.472 ' HA ' HG12 ' A' ' 34' ' ' ILE . 55.5 tt0 -66.37 -36.5 83.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.964 0.411 . . . . 0.0 110.527 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.559 ' HB1' ' HB2' ' A' ' 54' ' ' TYR . . . -71.13 -35.69 71.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.637 ' HA ' HG21 ' A' ' 50' ' ' ILE . 8.0 mt -73.02 -38.72 56.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.771 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.472 HG12 ' HA ' ' A' ' 31' ' ' GLU . 46.0 pt -66.4 -35.62 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-O 121.001 0.429 . . . . 0.0 110.32 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.402 ' N ' HG13 ' A' ' 34' ' ' ILE . 5.0 tttm -68.36 -40.02 81.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.034 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.27 -29.4 70.3 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.201 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.668 HD12 ' CD1' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -75.6 -36.28 60.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.978 0.418 . . . . 0.0 110.674 179.824 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.33 -3.14 59.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.655 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -103.63 -42.73 5.56 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -149.75 115.11 5.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.302 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.423 ' CG2' ' HA ' ' A' ' 37' ' ' LEU . 71.4 p -157.79 87.14 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.5 mtmm -113.16 30.71 6.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.758 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.3 -168.01 27.83 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.44 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.81 34.34 5.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -154.01 30.21 0.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -24.44 30.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.028 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.641 ' CD1' HD11 ' A' ' 37' ' ' LEU . 47.7 m-85 -52.78 -45.99 67.37 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.026 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -63.22 -45.2 92.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -57.72 -47.62 81.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.737 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.668 ' CD1' HD12 ' A' ' 37' ' ' LEU . 51.9 mt -58.64 -38.98 74.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.703 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.673 ' CD1' HD23 ' A' ' 67' ' ' LEU . 60.7 t80 -58.86 -44.82 91.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.784 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -68.22 -28.52 67.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.115 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.72 -52.51 10.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 110.843 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.559 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -79.39 0.34 29.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.722 179.708 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -53.09 -25.05 11.58 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.67 0.271 . . . . 0.0 111.216 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.74 -18.46 62.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.996 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.0 t -89.74 -75.23 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.842 0.353 . . . . 0.0 111.361 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -117.17 139.9 50.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.446 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.7 m170 52.53 92.69 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.405 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -77.33 -26.34 7.51 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.583 2.189 . . . . 0.0 112.383 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.71 -168.03 0.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.222 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -95.99 136.55 36.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.685 HG22 ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER -167.44 42.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.642 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 68.3 t -52.49 -35.78 20.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -60.74 -48.41 81.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.149 0.499 . . . . 0.0 109.682 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.685 ' HB2' HG22 ' A' ' 63' ' ' THR . 12.9 tt0 -60.28 -32.52 71.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.893 178.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.717 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -61.72 -51.08 69.85 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.401 179.742 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -61.78 -28.11 69.22 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.849 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -66.09 -49.99 65.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.707 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.717 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.0 p-80 -79.83 -17.27 53.69 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.076 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.505 ' HA ' ' CE3' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -84.43 -29.83 25.81 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.061 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -79.12 -33.05 44.63 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.155 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.05 -37.02 23.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.445 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 70' ' ' HIS . 43.3 p -74.11 -48.25 30.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.794 0.33 . . . . 0.0 111.011 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 tt -57.73 -43.3 85.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.982 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.72 100.3 12.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.37 -176.98 3.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.97 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.503 ' O ' HG12 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -164.36 -171.01 2.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.741 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.597 ' O ' HG22 ' A' ' 79' ' ' VAL . 11.6 p 45.24 29.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.682 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 78.0 mt -142.61 127.79 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.925 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -124.69 105.5 9.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -104.56 123.88 48.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.37 158.76 43.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -174.13 118.13 0.67 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 60.08 160.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.347 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.07 118.55 15.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.21 -113.05 5.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.14 146.54 42.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.884 0.373 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -127.37 -176.74 3.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.6 t -156.46 173.81 16.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.7 t -128.99 61.63 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.059 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 58.38 27.96 16.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -177.54 119.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.038 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.97 94.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.42 ' N ' ' CD ' ' A' ' 96' ' ' PRO . 0.5 OUTLIER -67.34 -52.23 29.83 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.984 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.42 ' CD ' ' N ' ' A' ' 95' ' ' SER . 37.0 Cg_exo -57.22 85.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.452 2.102 . . . . 0.0 112.203 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -135.78 155.76 49.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.994 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.59 80.12 1.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -151.08 126.01 9.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 m -112.11 -35.5 5.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -78.23 64.23 3.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.798 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.95 172.69 6.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 60.81 41.19 14.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.2 m120 61.25 160.78 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -162.49 91.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.816 -179.942 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.75 -24.91 34.15 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.574 2.183 . . . . 0.0 112.328 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 124.57 114.61 2.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.488 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.2 p -151.85 -177.88 6.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.92 179.81 4.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m 61.11 38.5 16.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -146.21 104.81 3.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -144.14 146.88 33.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.007 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.15 -28.71 69.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.211 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.11 162.91 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 11' ' ' VAL . 10.0 m -141.32 90.63 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.124 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.64 43.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.557 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.5 p -179.18 142.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.35 . . . . 0.0 111.056 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 165.03 -127.17 1.59 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.557 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.97 128.62 23.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.772 0.32 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.09 117.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 p -86.0 109.42 18.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.802 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.07 162.91 36.92 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -125.33 94.13 4.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.756 0.312 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -112.42 174.01 6.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -122.4 135.57 54.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.08 100.42 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.77 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 58.42 22.2 9.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.021 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.05 -175.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.314 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.684 ' O ' ' N ' ' A' ' 27' ' ' ALA . 0.1 OUTLIER 62.46 111.83 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 -178.713 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.86 68.33 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.953 0.406 . . . . 0.0 110.461 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.684 ' N ' ' O ' ' A' ' 25' ' ' PHE . . . 51.13 26.7 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.578 -179.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.443 ' HB3' ' CD1' ' A' ' 25' ' ' PHE . 5.8 t -65.09 -31.7 73.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.261 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.477 ' O ' HG13 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -56.38 -52.85 63.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.954 -179.785 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -61.39 -38.47 87.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.444 ' O ' HG13 ' A' ' 34' ' ' ILE . 7.2 mt-10 -68.43 -29.19 67.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.704 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.412 ' HA ' ' CG ' ' A' ' 35' ' ' LYS . . . -72.26 -36.44 69.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.206 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.503 HD13 HD22 ' A' ' 67' ' ' LEU . 4.0 mt -70.83 -44.2 76.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.61 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.596 HD12 ' N ' ' A' ' 35' ' ' LYS . 2.6 pp -65.94 -41.61 90.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.596 ' N ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -73.65 -30.07 62.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.005 0.431 . . . . 0.0 110.079 178.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.6 -43.8 84.51 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.134 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.751 HD23 ' HE ' ' A' ' 46' ' ' ARG . 3.1 mp -69.06 -42.25 76.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.761 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.05 -21.06 66.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.443 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -104.48 -22.04 13.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.369 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.695 ' O ' HG23 ' A' ' 41' ' ' THR . 17.6 m-85 -115.07 126.4 54.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.069 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.695 HG23 ' O ' ' A' ' 40' ' ' PHE . 0.8 OUTLIER -168.53 82.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -136.97 32.47 2.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.54 -168.77 48.33 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.561 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 59.71 30.0 19.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.18 94.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.751 ' HE ' HD23 ' A' ' 37' ' ' LEU . 27.5 ptt-85 -57.93 -26.24 61.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.425 ' O ' HG22 ' A' ' 50' ' ' ILE . 72.0 m-85 -62.81 -49.07 76.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.973 0.416 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -70.54 -48.28 56.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.776 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -59.25 -50.45 73.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.839 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.75 -37.9 68.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.304 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.711 ' HD1' HD23 ' A' ' 67' ' ' LEU . 75.9 t80 -62.3 -37.15 84.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.32 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -61.84 -47.41 85.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.336 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.68 -32.22 69.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.095 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.464 ' CE1' ' HB ' ' A' ' 57' ' ' VAL . 2.6 t80 -78.4 -8.72 58.79 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.372 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -53.53 -36.22 61.55 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.689 0.28 . . . . 0.0 111.142 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.8 t -55.59 -23.1 25.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.285 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.464 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 47.6 t -83.52 -73.17 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.341 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -114.09 155.59 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.136 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -177.21 58.74 0.15 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.433 ' HG2' ' HG2' ' A' ' 66' ' ' GLN . 19.5 Cg_endo -59.42 -75.14 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.556 2.171 . . . . 0.0 112.578 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -129.19 -87.35 0.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.278 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -57.86 -175.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.684 -0.235 . . . . 0.0 110.538 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 p -125.95 -99.95 0.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.437 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.7 t -51.22 -27.41 6.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-O 120.93 0.395 . . . . 0.0 110.07 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 t -66.59 -40.06 88.73 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.457 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -64.49 -39.23 93.4 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.464 178.722 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.711 HD23 ' HD1' ' A' ' 51' ' ' TYR . 2.4 tm? -55.22 -47.1 75.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.793 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -64.65 -28.54 69.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.662 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.66 -49.47 68.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.088 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.531 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -76.71 -30.91 56.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.121 0.486 . . . . 0.0 109.715 179.086 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 20.4 t-105 -73.03 -31.24 64.32 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.308 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.38 -36.96 53.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.446 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.39 -29.32 64.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.253 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.9 m -77.45 -43.63 31.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.759 0.314 . . . . 0.0 110.71 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.52 -49.04 79.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -104.85 99.86 9.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.14 -167.77 2.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -97.74 165.52 11.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.44 -60.44 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.479 ' O ' HD12 ' A' ' 80' ' ' ILE . 2.5 pp -142.64 137.74 28.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.211 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.89 -55.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -79.01 -51.66 9.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.18 168.39 10.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 157.01 153.36 6.63 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.76 100.84 10.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.66 139.24 40.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 169.23 82.01 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.543 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -120.78 -41.83 2.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.907 0.384 . . . . 0.0 110.938 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -57.57 -29.78 64.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.51 85.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.4 m -141.69 125.52 16.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.189 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -122.98 109.04 13.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -143.19 -176.05 4.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -89.09 139.49 30.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 96' ' ' PRO . 1.4 m -72.95 -62.3 1.33 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 95' ' ' SER . 53.0 Cg_endo -69.65 86.89 0.55 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.419 2.079 . . . . 0.0 112.253 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -148.71 -53.12 0.18 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.35 153.46 29.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.856 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.29 -64.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.26 -68.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.29 -46.9 1.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.2 102.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -115.83 -178.11 3.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -112.0 -49.72 2.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -104.26 171.36 7.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.842 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.088 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.05 114.75 1.76 Allowed 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.607 2.205 . . . . 0.0 112.244 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.99 118.69 4.82 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.9 p -163.38 154.77 16.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.07 169.29 1.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m 179.65 -36.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 66.75 89.49 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -89.45 -37.04 15.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.06 -175.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -85.96 167.92 14.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t 59.68 106.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.166 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.11 173.87 22.21 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.548 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.0 p -127.58 142.54 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 111.022 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 68.85 73.01 0.75 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.95 -46.54 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.771 0.32 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 p -113.42 154.99 26.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 t -114.34 121.14 42.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.87 73.19 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.522 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.4 112.42 6.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -136.17 -179.81 5.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.1 tttt 62.19 150.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -129.68 96.97 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -152.2 -61.63 0.16 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.79 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' HG3' HG13 ' A' ' 57' ' ' VAL . 27.2 mtpt -102.02 125.29 48.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.227 0.537 . . . . 0.0 111.004 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.431 ' C ' ' H ' ' A' ' 27' ' ' ALA . 1.4 m-85 -153.3 161.7 42.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.043 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.55 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 1.4 m -71.14 48.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 26' ' ' SER . . . 168.09 -24.27 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.595 -179.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.413 ' HB2' ' N ' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -55.27 -27.2 44.95 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-O 120.706 0.289 . . . . 0.0 111.144 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.454 ' O ' HG13 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -58.69 -52.7 64.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.919 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -57.65 -40.29 78.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.597 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' O ' HG13 ' A' ' 34' ' ' ILE . 6.4 mp0 -68.58 -29.47 68.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.685 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.15 -36.27 74.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.796 HD13 ' CD2' ' A' ' 67' ' ' LEU . 4.0 mt -71.23 -47.28 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.545 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.689 HD12 ' N ' ' A' ' 35' ' ' LYS . 2.8 pp -63.57 -37.82 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.305 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.689 ' N ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -73.79 -37.23 65.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.198 0.523 . . . . 0.0 110.032 178.886 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.408 ' O ' ' CD1' ' A' ' 40' ' ' PHE . . . -63.64 -47.05 90.34 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.175 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.613 ' O ' HG22 ' A' ' 41' ' ' THR . 0.9 OUTLIER -69.31 -40.11 77.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.713 179.789 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.67 -23.56 59.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.444 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -91.54 -32.87 15.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.245 -179.764 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.463 ' O ' ' HB ' ' A' ' 41' ' ' THR . 0.1 OUTLIER -148.84 129.12 13.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 111.367 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 37' ' ' LEU . 3.7 t 170.4 84.46 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.502 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -119.39 42.79 2.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.996 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 112.41 178.06 19.84 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.673 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.08 21.68 9.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.687 0.28 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 50.45 87.2 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.402 ' CG ' ' HA ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -66.91 -23.58 66.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.252 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -45.1 -41.87 8.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.707 0.289 . . . . 0.0 111.734 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -52.18 24.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 111.229 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -50.37 73.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.8 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.73 -37.93 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.619 179.678 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.815 ' OH ' HG22 ' A' ' 63' ' ' THR . 30.8 t80 -58.41 -41.71 85.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.302 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -68.26 -34.67 76.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.4 -52.43 39.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.3 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.468 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -78.62 -1.17 32.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.374 179.825 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.445 ' CD ' ' HA ' ' A' ' 60' ' ' PRO . 2.9 tmm_? -53.24 -31.2 42.2 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.859 0.361 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 m -63.5 -20.77 65.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.026 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.414 HG13 ' HG3' ' A' ' 24' ' ' LYS . 46.2 t -80.05 -74.36 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.375 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -121.63 158.46 28.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.234 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 55.36 84.79 0.2 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.445 ' HA ' ' CD ' ' A' ' 55' ' ' ARG . 59.6 Cg_endo -72.17 -11.02 26.65 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.619 2.213 . . . . 0.0 112.773 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -104.22 158.88 16.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 111.246 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.416 ' O ' ' HB ' ' A' ' 63' ' ' THR . 21.1 mtt85 -66.99 142.22 57.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.815 HG22 ' OH ' ' A' ' 51' ' ' TYR . 14.5 t -176.66 51.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.144 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.7 t -50.59 -32.92 10.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 120.963 0.411 . . . . 0.0 109.987 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.3 m -58.9 -43.13 90.97 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.42 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 15.8 mt-30 -61.54 -36.81 81.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.397 178.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.796 ' CD2' HD13 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -53.81 -50.02 67.07 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.863 178.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -63.4 -28.53 70.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.612 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -65.46 -49.66 68.27 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.427 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.607 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -75.62 -28.23 58.76 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 178.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.471 ' HZ3' HG22 ' A' ' 34' ' ' ILE . 26.1 t-105 -69.65 -35.8 75.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.282 179.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -40.19 63.08 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.16 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.71 -30.75 72.76 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.107 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.9 m -72.06 -45.68 59.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.815 0.341 . . . . 0.0 110.556 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.469 ' HA ' HD22 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -57.65 -37.32 73.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.73 179.75 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.61 89.27 7.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -67.96 146.42 53.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.976 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -140.72 69.92 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.1 m -88.71 -33.17 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.16 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.8 pt -87.33 74.57 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.199 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.79 137.57 3.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.952 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -100.41 136.4 40.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -132.53 70.56 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 126.96 -178.52 16.81 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.45 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -108.23 123.64 49.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.8 mmm-85 -98.61 146.38 25.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 93.43 63.38 1.07 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.399 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -145.95 166.9 24.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.751 0.31 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -92.05 95.05 9.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.53 83.12 0.15 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.7 p -81.06 134.61 26.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 59.73 178.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.107 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -129.31 106.7 8.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -126.97 93.26 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.1 p 63.25 137.41 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.6 124.32 15.5 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.479 2.119 . . . . 0.0 112.282 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 61.9 149.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.16 171.91 19.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.37 155.13 24.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.42 -58.07 0.64 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -114.35 120.9 41.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.3 tpp -99.59 87.48 3.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 60.74 30.6 19.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 59.87 177.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -96.62 146.14 25.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.9 -179.911 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.114 0 N-CA-C 112.577 -0.209 . . . . 0.0 112.577 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.22 108.47 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.608 2.205 . . . . 0.0 112.309 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.1 -73.44 0.22 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.5 p -66.53 175.3 2.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.785 0.326 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.1 102.23 6.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.3 129.15 41.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -135.04 160.88 36.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.002 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -99.65 130.83 45.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -173.7 129.61 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.157 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -138.22 88.33 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.8 m -105.81 159.86 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.92 -178.9 22.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 14' ' ' GLY . 15.3 m -139.74 -46.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 0.0 111.14 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.462 ' N ' HG23 ' A' ' 13' ' ' VAL . . . 110.21 -72.84 0.21 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.503 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 m 68.71 -67.91 0.19 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.837 0.351 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.9 m 68.55 -68.56 0.17 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.987 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m 61.24 164.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.19 160.15 26.87 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 tttt -117.24 104.96 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.18 171.46 10.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -120.81 30.65 6.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -143.21 86.91 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.468 ' CE1' HG22 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -153.47 39.45 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.3 pttt -166.27 45.0 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.453 ' HB3' ' CB ' ' A' ' 28' ' ' SER . 46.4 t80 -57.79 155.72 9.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.227 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.569 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 78.9 p -72.43 52.95 0.29 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.29 0.567 . . . . 0.0 109.533 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 26' ' ' SER . . . 164.77 -24.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.145 -179.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.453 ' CB ' ' HB3' ' A' ' 25' ' ' PHE . 1.2 m -53.27 -41.07 65.16 Favored 'General case' 0 C--N 1.34 0.159 0 CA-C-O 120.893 0.378 . . . . 0.0 111.099 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.483 ' O ' HG13 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -56.77 -52.6 64.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.96 -179.856 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.82 -42.82 94.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.404 ' HA ' HG12 ' A' ' 34' ' ' ILE . 3.6 tt0 -58.79 -33.35 70.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.56 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.443 ' HA ' ' HG2' ' A' ' 35' ' ' LYS . . . -71.91 -36.86 70.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.986 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.835 HG22 HD12 ' A' ' 37' ' ' LEU . 1.8 mt -69.72 -39.06 77.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.949 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.426 HG13 ' N ' ' A' ' 35' ' ' LYS . 32.7 pt -66.43 -40.94 87.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' HG2' ' HA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -72.21 -36.58 69.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.173 0.511 . . . . 0.0 110.102 179.331 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.482 ' HA3' ' CG1' ' A' ' 50' ' ' ILE . . . -70.14 -42.24 67.83 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.119 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.835 HD12 HG22 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -68.3 -31.72 71.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.835 0.35 . . . . 0.0 110.699 179.735 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.83 -23.65 60.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.367 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.1 -25.03 12.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.612 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -113.47 124.44 52.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.33 . . . . 0.0 111.273 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.404 ' HA ' ' HG2' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -155.76 84.12 1.03 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.891 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -33.02 61.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.047 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.52 86.15 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.788 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 55.61 52.27 11.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.874 0.369 . . . . 0.0 111.205 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -176.87 37.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.632 ' HD3' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -88.05 -28.63 21.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.993 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.609 ' HD1' HD11 ' A' ' 37' ' ' LEU . 29.8 m-85 -58.5 -46.69 86.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.777 -179.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.512 ' OE1' HG21 ' A' ' 64' ' ' VAL . 13.0 mt-30 -70.21 -54.72 11.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.953 0.406 . . . . 0.0 111.194 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -44.21 84.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.092 -179.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.797 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -62.09 -41.18 90.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.753 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.626 ' HD1' HD23 ' A' ' 67' ' ' LEU . 81.3 t80 -56.85 -41.94 78.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.973 0.416 . . . . 0.0 110.778 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -65.23 -43.15 92.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.505 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.22 -53.1 41.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.892 0.377 . . . . 0.0 111.068 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.501 ' CD2' ' HA ' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -79.72 4.09 17.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.491 179.262 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -24.32 9.11 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.691 0.281 . . . . 0.0 111.201 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.1 t -58.1 -26.94 63.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.863 0.363 . . . . 0.0 110.698 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.468 HG22 ' CE1' ' A' ' 23' ' ' TYR . 25.5 t -76.24 -69.18 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.563 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -71.41 179.86 2.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.71 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -173.13 56.47 0.21 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.33 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -81.8 -166.35 0.39 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.617 2.211 . . . . 0.0 112.215 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.64 -73.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.903 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -87.88 165.8 15.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.608 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 t -119.72 151.42 38.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.512 HG21 ' OE1' ' A' ' 48' ' ' GLN . 1.1 t 73.93 -52.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.522 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.488 ' N ' HG12 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -63.2 -33.23 75.02 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -68.33 -32.69 72.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.302 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.7 ' HA ' ' CE1' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -66.64 -50.83 61.67 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.168 179.635 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -62.81 -27.91 69.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.89 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -66.07 -49.82 66.3 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.248 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.7 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.1 p-80 -82.78 -21.74 34.51 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.079 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.403 ' HB2' HD13 ' A' ' 67' ' ' LEU . 51.4 t-105 -79.73 -30.64 40.94 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.791 178.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.411 ' O ' ' HB3' ' A' ' 76' ' ' ARG . 44.1 ttm-85 -76.69 -46.27 26.25 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.108 0.48 . . . . 0.0 109.936 179.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.63 -31.01 75.31 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.254 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.9 m -81.84 -28.17 33.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.643 0.258 . . . . 0.0 111.104 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.94 68.41 0.94 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.929 0.395 . . . . 0.0 111.45 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.411 ' HB3' ' O ' ' A' ' 72' ' ' ARG . 6.6 ptt180 -76.95 -44.74 30.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.806 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -97.64 -168.79 1.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? 70.08 47.49 0.57 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.926 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.2 m -100.98 163.13 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.097 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.0 mt 63.95 123.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -81.88 -27.14 33.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 63.84 24.08 13.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.043 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.91 89.4 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.086 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.19 148.48 17.64 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -165.88 155.49 12.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.79 0.328 . . . . 0.0 110.929 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -156.71 137.23 13.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -179.46 -130.34 1.45 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.13 122.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.947 0.404 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -141.18 139.96 33.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.5 t -155.13 95.51 1.73 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.949 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.46 87.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -161.69 115.83 1.93 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.997 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -111.72 -33.37 6.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.96 129.23 16.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 m 59.66 72.01 0.84 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.62 -28.76 47.57 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.54 2.16 . . . . 0.0 112.311 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -90.62 89.41 7.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -151.55 32.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.16 115.78 9.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.175 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 40.5 t -108.85 -46.45 3.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -94.79 -43.22 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 67.95 -69.97 0.13 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.53 77.39 1.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -176.46 111.14 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -106.9 -59.6 1.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.884 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.108 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.22 -28.84 35.44 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.516 2.144 . . . . 0.0 112.326 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -141.08 176.31 21.7 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.9 t -136.45 176.04 9.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.39 113.26 14.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.2 -41.75 6.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -156.03 -56.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 9' ' ' ALA . 48.3 p90 -157.44 -45.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.416 ' N ' ' CD1' ' A' ' 8' ' ' PHE . . . 63.06 164.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -131.7 148.96 52.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.537 ' O ' HG12 ' A' ' 11' ' ' VAL . 17.1 t -96.62 40.66 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.02 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.56 144.7 6.62 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.468 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.4 t -108.35 126.9 65.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.804 0.335 . . . . 0.0 111.151 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.623 ' O ' HG23 ' A' ' 15' ' ' THR . . . -126.07 53.0 0.79 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.463 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -166.51 102.97 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.33 . . . . 0.0 110.918 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -164.74 154.15 13.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.4 p -168.45 171.24 9.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.6 -148.0 18.83 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.555 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.58 97.88 10.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.9 0.381 . . . . 0.0 110.94 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -164.55 32.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -105.96 29.55 6.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 -113.26 72.8 0.79 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -146.41 99.81 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.646 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -116.88 54.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.04 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.419 ' HB2' ' CB ' ' A' ' 28' ' ' SER . 5.1 m-85 -55.95 158.97 3.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.169 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.553 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 4.1 m -72.7 53.57 0.33 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 26' ' ' SER . . . 165.91 -25.28 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.99 -178.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.419 ' CB ' ' HB2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -54.57 -24.95 23.26 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-O 120.668 0.27 . . . . 0.0 111.195 179.883 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.659 ' HG3' HG12 ' A' ' 57' ' ' VAL . 1.7 mp0 -54.52 -52.56 61.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.96 0.41 . . . . 0.0 111.167 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -68.31 -35.27 77.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.466 ' O ' HG13 ' A' ' 34' ' ' ILE . 3.3 mm-40 -73.06 -29.85 63.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.56 -38.36 67.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.49 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.913 HD12 HD11 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -68.59 -49.13 67.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.518 179.246 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.603 HD12 ' N ' ' A' ' 35' ' ' LYS . 2.7 pp -56.83 -38.75 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 120.489 -0.484 . . . . 0.0 109.732 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.603 ' N ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -73.54 -29.86 62.71 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 177.769 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.56 -47.84 60.09 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.583 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.756 HD12 HG21 ' A' ' 50' ' ' ILE . 10.5 mp -71.95 -32.11 66.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 111.027 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.17 -6.39 59.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.744 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.97 -33.18 4.02 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.422 ' O ' ' HB ' ' A' ' 41' ' ' THR . 11.4 m-85 -110.23 92.29 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 111.491 -179.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 41' ' ' THR . 9.6 t 179.86 91.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.03 27.93 5.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.822 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.94 -71.99 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.408 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 179.06 -38.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.766 0.317 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -134.0 67.82 1.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.073 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.438 ' CB ' ' HA ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -100.29 -24.16 14.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.717 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.62 ' O ' HG22 ' A' ' 50' ' ' ILE . 6.3 m-85 -45.48 -44.54 12.49 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.342 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -31.76 70.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.333 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -50.54 67.97 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.371 179.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.823 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -60.35 -37.62 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.886 179.131 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.737 ' CD1' HD23 ' A' ' 67' ' ' LEU . 27.7 t80 -58.2 -39.97 80.34 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.205 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -61.89 -58.97 5.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.209 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.37 -27.38 69.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.295 179.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.515 ' CE2' HG12 ' A' ' 33' ' ' ILE . 22.1 t80 -78.05 -11.16 59.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.179 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -53.38 -30.18 38.49 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.808 0.337 . . . . 0.0 111.135 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.2 t -63.76 -30.76 71.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.659 HG12 ' HG3' ' A' ' 29' ' ' GLU . 21.6 t -78.35 -55.04 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.171 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.505 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -94.79 -163.4 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.813 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.1 115.06 49.72 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.75 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -52.02 123.19 11.95 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.424 2.083 . . . . 0.0 112.418 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -178.52 157.95 1.04 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.43 52.85 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.58 HG22 ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER -98.07 48.88 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.052 -179.828 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 87.1 t -55.03 -35.01 33.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.97 0.414 . . . . 0.0 110.393 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.6 t -59.21 -42.51 91.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.646 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.58 ' HB2' HG22 ' A' ' 63' ' ' THR . 4.0 tp60 -59.86 -38.01 80.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.662 178.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.913 HD11 HD12 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -56.98 -47.63 80.33 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.095 179.033 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -63.05 -28.25 69.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.74 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -65.31 -49.55 69.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.359 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.632 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.67 -33.72 62.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.223 0.535 . . . . 0.0 109.656 179.308 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.457 ' CG ' ' CD2' ' A' ' 37' ' ' LEU . 43.3 t-105 -71.48 -32.15 67.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.651 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.55 -29.84 41.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.538 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.34 -26.59 57.04 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.252 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 70' ' ' HIS . 51.1 p -85.3 -37.1 20.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.733 0.301 . . . . 0.0 110.951 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.416 HD22 ' CZ2' ' A' ' 71' ' ' TRP . 0.9 OUTLIER -95.62 -59.78 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.021 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 75' ' ' LEU . 0.3 OUTLIER 38.64 -93.27 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.89 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.3 p90 177.32 137.95 0.07 Allowed 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.867 0.365 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.16 -64.97 0.52 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.4 t -146.05 93.16 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.073 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 34.1 mm -67.04 -38.67 81.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.183 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -107.09 97.93 7.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -81.54 88.27 6.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.71 -62.35 0.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 98.74 -75.05 0.54 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.427 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -73.77 117.42 15.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -101.83 -50.17 3.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -164.43 -98.68 0.13 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.594 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.66 -176.62 5.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 110.931 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 65.06 91.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 p -108.53 151.01 26.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.5 m -95.08 -32.26 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -163.1 171.88 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -93.44 -42.61 9.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.45 109.52 7.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.434 ' N ' ' HD2' ' A' ' 96' ' ' PRO . 0.0 OUTLIER -65.85 -61.04 6.15 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.993 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 95' ' ' SER . 37.6 Cg_endo -66.31 132.19 28.78 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.482 2.121 . . . . 0.0 112.255 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -52.61 45.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.805 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.38 130.92 53.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -175.37 132.98 0.3 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.101 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 m -117.34 106.56 13.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -114.93 171.69 7.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -159.04 34.05 0.21 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.833 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 63.15 138.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -144.13 -47.58 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -148.41 77.13 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.867 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.34 -44.75 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.596 2.197 . . . . 0.0 112.398 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.34 74.54 0.76 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.471 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.82 -49.89 48.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.845 0.355 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mp -73.89 120.71 19.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.62 -72.78 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.806 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -128.5 -67.88 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -134.87 155.17 51.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.31 161.89 15.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.042 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -92.02 99.67 12.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.3 m -141.62 124.9 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.79 169.18 33.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.541 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 t -89.47 -37.12 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.819 0.342 . . . . 0.0 111.054 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.95 -106.39 2.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.3 m 60.32 161.11 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.773 0.321 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.5 p -107.6 113.46 26.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.6 p -69.23 -72.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -164.85 -83.99 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.48 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm 60.18 168.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.881 0.372 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -139.96 34.19 1.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.808 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.12 91.41 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.821 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -116.57 98.98 6.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 61.62 32.32 18.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.91 52.96 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.966 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.23 152.82 23.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.856 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.534 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 31.3 p -73.42 52.28 0.37 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 26' ' ' SER . . . 168.02 -26.8 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.122 -0.944 . . . . 0.0 109.874 -178.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.81 -27.29 4.83 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.908 0.385 . . . . 0.0 110.798 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.18 -47.19 46.16 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.049 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -56.51 -39.33 73.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.043 0.449 . . . . 0.0 110.427 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -29.89 70.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.399 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.02 -38.03 78.98 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.426 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.018 HD13 HD22 ' A' ' 67' ' ' LEU . 5.8 mt -65.11 -51.17 69.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.534 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -57.73 -39.19 69.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.619 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -67.27 -40.5 86.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.167 0.508 . . . . 0.0 109.788 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.93 -50.14 62.91 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.691 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mp -59.39 -31.19 69.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.38 . . . . 0.0 110.672 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.61 -30.77 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.43 ' O ' ' CG ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -116.4 27.14 9.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.253 -179.835 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.43 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 56.7 m-85 -158.59 -146.19 0.15 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.694 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.596 ' HA ' ' HB2' ' A' ' 46' ' ' ARG . 2.3 t 45.4 83.7 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.121 0.486 . . . . 0.0 111.721 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -135.86 22.45 3.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.289 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 128.22 155.41 8.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.37 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.19 11.7 8.47 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.2 100.36 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.97 0.414 . . . . 0.0 111.211 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.596 ' HB2' ' HA ' ' A' ' 41' ' ' THR . 4.5 mmp_? -95.14 -23.33 17.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.196 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -44.33 -42.2 6.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.909 -178.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -69.61 -50.31 45.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.807 0.337 . . . . 0.0 111.168 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -50.36 73.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.987 0.422 . . . . 0.0 110.828 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.668 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.44 -37.49 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.467 179.707 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.553 ' HD2' HD23 ' A' ' 67' ' ' LEU . 3.7 t80 -56.37 -48.53 76.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.536 179.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -62.56 -34.53 77.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.41 -52.55 52.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.356 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.482 ' CD2' ' HA ' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -78.93 2.1 21.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.621 179.669 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.2 ttm105 -53.16 -24.96 11.91 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.749 0.309 . . . . 0.0 111.219 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 62.6 m -60.5 -26.15 66.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.725 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 80.1 t -74.84 -72.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.425 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -108.53 164.55 12.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.793 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -156.69 64.28 3.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -56.39 -166.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.628 2.218 . . . . 0.0 112.195 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.89 -34.49 59.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.994 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.23 134.0 33.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.772 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.459 ' HB ' ' CE1' ' A' ' 51' ' ' TYR . 65.6 p -101.29 169.22 9.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.015 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 63' ' ' THR . 85.5 t 70.53 -52.61 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.981 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.2 p -57.08 -46.05 82.83 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.436 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -62.89 -39.22 93.82 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.298 178.546 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.018 HD22 HD13 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -54.55 -50.25 68.38 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.017 178.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.4 ' O ' ' N ' ' A' ' 72' ' ' ARG . 5.0 m-30 -62.71 -28.38 69.91 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.903 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.11 -49.37 70.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.9 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.552 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -77.18 -29.71 54.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.137 0.494 . . . . 0.0 109.709 178.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -74.21 -29.7 61.86 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.582 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' TYR . 5.2 mtm-85 -77.97 -40.35 39.63 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.035 0.445 . . . . 0.0 110.352 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -72.2 -28.24 68.56 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.209 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.1 p -77.21 -48.2 18.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.351 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.6 mt -153.71 78.15 1.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.95 136.01 46.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.09 84.89 2.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.4 tttm -115.58 -55.06 2.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.446 HG23 ' N ' ' A' ' 80' ' ' ILE . 10.2 m -135.31 -48.13 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.05 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.446 ' N ' HG23 ' A' ' 79' ' ' VAL . 5.5 mt -126.84 143.54 39.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.993 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.31 84.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 62.23 150.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.978 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -133.04 85.13 2.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -135.12 -175.61 13.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.444 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -110.06 119.27 38.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.836 0.35 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.45 79.91 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -75.66 85.65 0.85 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.637 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.83 165.93 9.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.36 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.1 t30 60.49 91.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.97 140.82 48.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.3 m -145.24 157.11 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.061 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -161.74 177.62 9.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -111.34 86.25 2.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.166 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? 62.75 -80.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.048 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.6 p -121.38 101.96 43.26 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -51.57 -179.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.483 2.122 . . . . 0.0 112.213 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -158.3 -74.15 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.47 -42.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.936 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -148.46 -68.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.52 -69.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -136.96 -63.09 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.05 -52.13 0.67 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 178.73 131.98 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.74 36.33 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.94 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -118.27 34.4 5.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.056 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.03 150.87 67.19 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.638 2.225 . . . . 0.0 112.325 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 135.75 70.36 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.437 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 t -154.95 -49.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.7 mp -92.74 -49.03 6.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.2 t 60.76 175.41 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -105.62 128.58 53.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.3 71.61 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.822 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.04 72.26 1.34 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -135.25 -47.08 0.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.812 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 11' ' ' VAL . 10.4 p -111.27 107.98 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.058 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.32 -34.56 1.39 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.495 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.72 -52.27 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 111.188 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.58 -170.19 11.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 t 42.89 89.5 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.928 0.394 . . . . 0.0 111.52 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.31 -173.17 1.04 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 m 61.22 155.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.21 -37.95 0.98 Allowed Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -87.44 109.29 19.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.855 0.36 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -105.14 138.73 40.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -143.09 34.0 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.02 109.93 13.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.447 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 1.3 p90 -140.93 -60.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER 63.25 -85.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.22 179.777 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' A' ' 27' ' ' ALA . 1.8 m-85 61.85 137.99 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.08 63.48 0.33 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 25' ' ' PHE . . . 60.87 23.92 13.93 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.009 -178.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.413 ' HB3' ' CD1' ' A' ' 25' ' ' PHE . 14.3 p -53.08 -24.51 10.25 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.355 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.542 ' HG3' ' CZ2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -79.58 -52.46 7.97 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.214 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.31 -28.94 70.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.347 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.423 ' O ' HG13 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -71.17 -29.52 65.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.566 179.728 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.29 -36.62 58.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.572 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.708 HD13 HD22 ' A' ' 67' ' ' LEU . 5.4 mt -71.61 -42.2 71.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.716 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 31' ' ' GLU . 2.2 pp -66.52 -39.1 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.336 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -73.54 -36.89 65.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.813 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.444 ' HA3' HD11 ' A' ' 50' ' ' ILE . . . -64.89 -52.18 44.52 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.719 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.677 HD12 HG21 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -60.27 -36.88 78.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.806 0.336 . . . . 0.0 110.458 179.523 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.64 -24.67 67.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.419 ' O ' ' CD1' ' A' ' 40' ' ' PHE . 1.4 tmt_? -121.23 26.98 8.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.182 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 39' ' ' ARG . 28.7 m-85 -155.99 88.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.956 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.495 HG22 ' HG2' ' A' ' 46' ' ' ARG . 1.3 p -148.28 75.67 1.34 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.32 -34.63 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.959 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.03 -167.46 21.44 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.706 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.21 30.22 3.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.7 0.286 . . . . 0.0 110.842 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.14 69.82 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.999 0.428 . . . . 0.0 110.725 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.495 ' HG2' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER -77.32 -32.34 55.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.986 -179.774 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.405 ' O ' HG22 ' A' ' 50' ' ' ILE . 27.9 m-85 -60.46 -46.09 91.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.257 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.15 -53.32 17.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.018 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.74 -47.31 82.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.325 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.803 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -61.72 -39.93 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.179 -179.701 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.473 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 86.5 t80 -58.54 -43.22 89.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -68.23 -34.41 76.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.347 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.75 -52.53 24.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.895 0.379 . . . . 0.0 111.169 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.473 ' CD2' ' HA ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -78.72 -1.45 34.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.262 179.478 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -53.41 -23.92 11.1 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.74 0.305 . . . . 0.0 111.364 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.0 m -53.86 -28.37 35.57 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.8 0.333 . . . . 0.0 110.917 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.21 -63.85 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.054 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.542 ' CZ2' ' HG3' ' A' ' 29' ' ' GLU . 74.4 m95 -109.47 108.21 18.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -124.53 60.0 22.95 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.86 -172.43 0.83 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.588 2.192 . . . . 0.0 112.373 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.71 146.27 46.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 60.12 109.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.423 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 2.3 t -89.26 158.06 17.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.448 ' CG1' ' CZ ' ' A' ' 68' ' ' TYR . 70.6 t 70.2 -52.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.576 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -42.18 81.91 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.46 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 42.5 mm-40 -63.83 -39.07 93.36 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.203 178.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.708 HD22 HD13 ' A' ' 33' ' ' ILE . 2.0 tm? -55.64 -50.44 70.2 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.979 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.448 ' CZ ' ' CG1' ' A' ' 64' ' ' VAL . 9.5 m-30 -61.46 -28.6 69.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.974 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -64.97 -49.36 70.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.431 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.588 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -75.71 -32.41 60.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.022 0.439 . . . . 0.0 109.98 179.551 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.541 ' HZ3' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -74.93 -27.71 60.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.8 179.673 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.3 -37.51 37.54 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 120.94 0.4 . . . . 0.0 110.591 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -75.81 -28.88 60.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.273 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.1 m -77.73 -49.72 13.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 0.0 110.781 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.541 HD22 ' HZ3' ' A' ' 71' ' ' TRP . 3.4 tp -82.11 -62.68 1.56 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 61.47 31.42 19.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.802 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -134.54 83.88 2.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -60.23 3.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t 59.48 105.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.487 HG23 ' N ' ' A' ' 81' ' ' GLN . 1.6 tt -163.75 -44.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.487 ' N ' HG23 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -85.18 144.22 28.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 60.72 110.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -63.79 -61.53 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.13 152.79 4.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.541 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -114.41 166.59 11.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.807 0.337 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -151.55 63.83 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.02 103.67 1.51 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -115.54 96.54 5.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -131.41 80.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 t -132.96 179.39 6.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.1 p -86.52 152.82 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 61.26 114.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -100.59 131.46 46.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -139.33 -46.34 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.4 159.62 80.04 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.13 159.22 4.26 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.584 2.189 . . . . 0.0 112.39 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.55 -45.26 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -79.04 -40.64 30.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.13 114.39 4.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.8 m -153.0 156.92 39.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -99.61 37.3 1.62 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.8 ptt? -127.37 160.11 32.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -169.38 -52.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -131.33 164.22 26.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -80.48 124.7 29.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.31 -0.853 . . . . 0.0 110.848 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.84 94.54 0.54 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.569 2.179 . . . . 0.0 112.271 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 156.76 55.62 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.516 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -75.73 105.26 6.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.825 0.345 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 tp -140.66 93.56 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.63 129.73 7.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -162.08 -61.7 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' A' ' 9' ' ' ALA . 42.6 p90 -150.98 -47.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.441 ' N ' ' CD1' ' A' ' 8' ' ' PHE . . . -124.18 143.46 50.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -140.11 31.61 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.981 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -151.72 124.89 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.27 129.49 6.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.461 HG23 ' N ' ' A' ' 14' ' ' GLY . 15.3 m -139.71 -46.6 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 111.151 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.461 ' N ' HG23 ' A' ' 13' ' ' VAL . . . -158.14 112.13 0.51 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.454 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.71 165.03 17.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.756 0.313 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 m 60.42 87.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 t -154.14 36.12 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.817 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.26 39.78 0.5 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.518 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -138.88 83.47 1.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.6 tp60 -139.87 146.63 39.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.72 108.66 21.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.709 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.401 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 3.9 tpt180 -149.4 31.95 0.73 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.239 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.401 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 71.9 m-85 -156.87 -118.2 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.37 27.76 1.47 Allowed 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.927 0.394 . . . . 0.0 111.205 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -62.11 153.16 30.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.727 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.541 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 22.9 t -71.47 54.67 0.22 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 26' ' ' SER . . . 166.3 -26.75 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.047 -0.978 . . . . 0.0 109.782 -178.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.0 -29.19 19.73 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.442 ' HG2' ' CZ2' ' A' ' 58' ' ' TRP . 0.4 OUTLIER -56.77 -48.98 76.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.044 179.85 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -56.53 -31.79 64.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.793 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.424 ' HA ' ' CG1' ' A' ' 34' ' ' ILE . 12.8 mt-10 -70.12 -29.66 66.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.714 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.29 -35.71 61.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.554 HG21 HD11 ' A' ' 67' ' ' LEU . 7.2 mt -74.44 -40.85 49.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.753 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.62 HD12 ' N ' ' A' ' 35' ' ' LYS . 2.8 pp -66.99 -35.54 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.261 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.62 ' N ' HD12 ' A' ' 34' ' ' ILE . 7.2 mttp -70.58 -34.94 72.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.94 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.6 -30.3 62.28 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.458 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.677 HD23 ' HG3' ' A' ' 46' ' ' ARG . 2.6 mt -77.79 -31.83 52.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 111.033 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.16 -10.97 51.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 0.0 112.013 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -100.37 -47.08 5.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.659 0.266 . . . . 0.0 111.522 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -142.4 141.25 32.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.242 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.458 HG22 ' HG3' ' A' ' 46' ' ' ARG . 77.2 p -157.42 31.55 0.28 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.826 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.14 73.7 0.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.655 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 45' ' ' GLN . . . -172.44 168.04 41.05 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.44 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.635 ' O ' ' HB2' ' A' ' 45' ' ' GLN . 6.4 mt-30 -62.25 84.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.635 ' HB2' ' O ' ' A' ' 44' ' ' GLN . 8.8 mt-30 80.0 99.34 0.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.796 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.677 ' HG3' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -73.49 -29.25 62.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.051 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.65 ' CE1' HD21 ' A' ' 37' ' ' LEU . 66.8 m-85 -59.81 -50.04 75.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 0.0 111.1 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -66.11 -39.23 89.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.977 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -57.84 -50.41 73.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.58 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.516 HG21 ' HA ' ' A' ' 33' ' ' ILE . 26.2 mt -59.05 -42.83 87.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.506 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.829 ' CD1' HD23 ' A' ' 67' ' ' LEU . 68.1 t80 -56.28 -41.87 76.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.725 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.437 ' O ' ' CG ' ' A' ' 55' ' ' ARG . 3.8 m-85 -68.56 -32.5 72.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.371 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.72 -53.07 9.11 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.369 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.503 ' CD2' ' HA ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -80.3 6.2 12.66 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.88 179.189 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 52' ' ' TYR . 4.7 ppt_? -52.74 -25.53 11.44 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 122.203 -0.31 . . . . 0.0 111.489 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -20.42 53.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 111.051 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.9 t -81.82 -69.32 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.499 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.513 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -78.72 -84.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.714 -179.135 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.466 ' HA ' ' HD3' ' A' ' 60' ' ' PRO . 1.8 t60 -159.89 145.72 11.74 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-O 120.703 0.287 . . . . 0.0 111.52 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 59' ' ' HIS . 3.9 Cg_exo -80.37 -157.27 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.041 2.494 . . . . 0.0 112.147 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 64.0 167.69 0.16 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.435 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 52.4 mtp85 -62.57 117.23 5.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.82 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.735 HG22 ' HB2' ' A' ' 66' ' ' GLN . 4.6 m -158.56 28.09 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.076 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.7 t -58.8 -29.14 39.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.634 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.43 -47.27 84.48 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.035 0.445 . . . . 0.0 110.009 179.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.735 ' HB2' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -60.58 -39.07 86.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.837 179.037 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.829 HD23 ' CD1' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -56.63 -48.62 77.11 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.272 179.198 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -63.37 -28.25 69.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.834 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -49.4 65.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.377 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.568 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -75.89 -31.01 59.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.075 0.464 . . . . 0.0 109.804 179.238 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.437 ' CZ2' HD13 ' A' ' 37' ' ' LEU . 33.5 t-105 -75.08 -31.92 61.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.687 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -79.35 -31.95 43.15 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.917 0.389 . . . . 0.0 110.493 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.81 -29.62 54.28 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.122 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.0 p -81.27 -38.08 27.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.765 0.317 . . . . 0.0 110.825 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.8 -67.69 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 59.82 169.74 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -140.36 -50.65 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.0 175.27 1.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.8 m -63.0 175.29 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.483 ' N ' HD12 ' A' ' 80' ' ' ILE . 3.8 mp -127.08 89.46 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.055 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -77.81 174.73 10.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -99.13 32.29 2.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.91 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -135.92 97.68 3.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -126.38 169.11 18.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -64.43 -66.28 0.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.4 mtt85 -149.44 100.6 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.75 126.05 1.98 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.559 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.7 tttt 60.0 32.64 21.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.865 0.364 . . . . 0.0 110.934 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -87.71 115.05 24.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.4 m -129.06 96.62 4.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 29.4 m -156.55 132.62 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.142 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -130.87 32.73 4.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.076 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -139.63 88.45 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.008 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -98.14 30.53 3.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.9 t -123.71 149.52 59.35 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.962 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -51.97 163.48 1.42 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.56 2.173 . . . . 0.0 112.353 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.55 107.35 13.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.04 155.35 37.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.27 106.18 3.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.123 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.27 -50.29 3.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -91.84 141.48 28.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -103.53 165.18 11.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.82 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -161.21 57.94 0.29 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 60.39 167.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 60.28 32.7 20.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.13 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.28 -20.32 37.27 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.575 2.183 . . . . 0.0 112.505 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.62 -44.79 86.12 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.648 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.5 t -131.86 129.59 40.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 110.947 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.94 128.68 6.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.96 146.27 35.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -152.35 154.47 35.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -175.66 153.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.81 132.62 45.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -102.38 157.22 17.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.3 m -123.22 166.68 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.184 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -104.61 -163.53 24.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.458 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 14' ' ' GLY . 11.0 p -160.32 -44.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 111.032 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.487 ' N ' HG13 ' A' ' 13' ' ' VAL . . . 89.84 -175.54 41.93 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.563 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.0 m 60.39 82.51 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.808 0.337 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.1 p -123.84 143.5 50.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.5 m 60.47 169.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.25 -132.4 4.98 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.453 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -137.23 158.56 44.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.826 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -156.13 170.4 22.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 tptt 61.69 91.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -135.99 104.14 5.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -141.77 -63.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.026 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -121.77 57.98 1.02 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.101 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.459 ' HB3' ' CB ' ' A' ' 28' ' ' SER . 45.3 t80 -64.55 152.51 41.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.554 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 5.4 p -72.63 52.78 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 26' ' ' SER . . . 166.28 -25.33 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.054 -178.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.459 ' CB ' ' HB3' ' A' ' 25' ' ' PHE . 1.3 m -50.9 -40.54 57.0 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-O 120.968 0.413 . . . . 0.0 110.774 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.431 ' HG2' ' CD2' ' A' ' 58' ' ' TRP . 1.4 pp20? -63.06 -52.32 63.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.629 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.87 -33.63 70.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.589 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.41 ' HA ' HG22 ' A' ' 34' ' ' ILE . 39.7 mt-10 -70.34 -30.55 67.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.416 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.5 -37.69 74.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.566 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.852 HD13 HD22 ' A' ' 67' ' ' LEU . 6.2 mt -66.67 -48.72 79.34 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.618 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.41 HG22 ' HA ' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -59.0 -38.23 72.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.629 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -69.93 -35.3 74.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.109 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.65 -36.82 53.14 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.145 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.791 HD21 ' CE2' ' A' ' 47' ' ' PHE . 5.6 mp -73.16 -27.1 61.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.705 0.288 . . . . 0.0 110.849 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.59 -21.54 32.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.406 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.03 -56.34 2.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.974 0.416 . . . . 0.0 111.157 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.726 ' O ' HG23 ' A' ' 41' ' ' THR . 33.7 m-85 -84.73 117.06 23.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.904 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.726 HG23 ' O ' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -172.05 84.8 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.13 32.07 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.09 -175.0 26.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.555 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.52 -46.58 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.83 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -116.36 71.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.788 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -76.41 -24.1 54.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.103 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.791 ' CE2' HD21 ' A' ' 37' ' ' LEU . 95.6 m-85 -53.66 -46.91 70.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.334 . . . . 0.0 111.525 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -70.29 -46.68 63.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.326 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.59 -50.53 72.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.994 0.426 . . . . 0.0 110.599 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.839 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -60.51 -37.52 75.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.338 179.435 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.645 ' HD2' HD23 ' A' ' 67' ' ' LEU . 49.0 t80 -54.49 -45.84 73.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.65 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -68.21 -34.02 75.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.768 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.8 -52.14 47.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.49 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.499 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -78.28 -2.36 37.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.57 -179.923 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.18 84.98 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.735 0.302 . . . . 0.0 111.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER 176.69 38.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.823 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.446 HG23 ' N ' ' A' ' 58' ' ' TRP . 10.3 m -136.08 -46.73 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.446 ' N ' HG23 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -112.91 177.53 4.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -120.59 63.18 10.23 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.03 152.48 57.09 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.628 2.218 . . . . 0.0 112.271 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.67 -41.2 18.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.07 138.88 54.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.416 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 1.7 t -89.0 155.22 19.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.941 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.416 ' HB ' ' O ' ' A' ' 63' ' ' THR . 81.1 t 70.42 -52.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.623 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -43.0 98.14 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.454 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 18.7 mm-40 -64.97 -39.06 92.91 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.065 178.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.852 HD22 HD13 ' A' ' 33' ' ' ILE . 2.4 tm? -55.36 -49.18 72.93 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.034 178.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.402 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 4.3 m-30 -63.82 -28.37 69.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.986 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -67.09 -47.71 70.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.006 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.591 ' O ' HG23 ' A' ' 74' ' ' THR . 0.0 OUTLIER -77.31 -30.96 54.33 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 178.856 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -72.74 -33.79 66.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.664 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 68' ' ' TYR . 6.6 tpp85 -75.81 -43.37 46.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.013 0.435 . . . . 0.0 110.032 179.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.95 -28.91 74.05 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.971 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 70' ' ' HIS . 17.6 p -77.11 -38.69 51.69 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.881 0.372 . . . . 0.0 110.591 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.538 HD12 ' C ' ' A' ' 74' ' ' THR . 4.2 mp -153.83 78.32 1.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 77' ' ' TYR . 14.2 ttm180 -76.95 -72.14 0.36 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.41 ' CG ' ' O ' ' A' ' 76' ' ' ARG . 53.9 p90 43.69 31.05 0.42 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.452 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -93.33 81.78 4.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.0 m -117.65 -39.12 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.561 HD12 ' H ' ' A' ' 80' ' ' ILE . 3.6 mp -69.47 -51.54 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.12 150.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -148.66 -47.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.11 148.04 40.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -123.55 -107.29 1.81 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.516 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -94.89 160.9 14.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.755 0.312 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.03 31.14 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.78 -163.59 10.76 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.508 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.54 -41.17 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.859 0.361 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -155.56 117.83 4.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -148.24 -68.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.3 m -146.21 156.03 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -119.69 165.88 13.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.35 30.93 6.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.1 tpp85 -61.56 -64.24 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.409 ' CB ' ' HD3' ' A' ' 96' ' ' PRO . 0.6 OUTLIER -89.13 -53.15 0.34 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.409 ' HD3' ' CB ' ' A' ' 95' ' ' SER . 53.2 Cg_exo -54.63 152.68 26.56 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.517 2.145 . . . . 0.0 112.365 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -177.23 103.66 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.801 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.83 166.25 17.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -125.64 31.82 5.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.2 t -125.74 -44.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.08 165.43 29.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.81 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.3 ttt -68.94 150.95 47.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.49 134.02 38.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -147.36 -46.47 0.17 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.8 m120 63.3 170.26 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.969 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.919 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.49 160.53 49.19 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.578 2.185 . . . . 0.0 112.279 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.88 131.47 3.94 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.563 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.1 81.16 0.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 pp -131.0 179.89 5.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.84 94.6 3.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -148.58 160.92 42.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -140.52 137.09 33.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.76 86.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.061 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -127.66 68.28 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.554 ' O ' HG12 ' A' ' 11' ' ' VAL . 12.8 t -140.71 33.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.08 106.49 3.07 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.7 p -74.5 127.75 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 0.0 111.088 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.94 83.38 0.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.04 -54.99 7.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.694 0.283 . . . . 0.0 110.867 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.08 -179.63 2.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -149.58 -62.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.814 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -145.75 -59.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -158.34 167.8 28.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -163.09 153.68 16.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.766 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.04 -58.72 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 115.2 4.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -177.43 96.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.15 41.13 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.64 152.61 14.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.851 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.561 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 5.3 p -72.83 52.9 0.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.561 ' HB2' ' O ' ' A' ' 26' ' ' SER . . . 165.19 -25.45 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.066 -178.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.2 -34.16 30.65 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.834 0.35 . . . . 0.0 110.754 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' O ' HG13 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -58.76 -47.01 86.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.796 179.761 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.43 -45.73 80.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.786 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.438 ' O ' HG13 ' A' ' 34' ' ' ILE . 1.9 tm-20 -61.23 -29.51 69.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.56 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.75 -30.03 61.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.622 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.785 HD13 HD21 ' A' ' 67' ' ' LEU . 1.4 mt -72.43 -46.54 55.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.653 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.747 HD12 ' N ' ' A' ' 35' ' ' LYS . 2.8 pp -63.24 -39.92 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.257 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.747 ' N ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -66.96 -33.65 76.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.893 178.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.534 ' HA3' HD11 ' A' ' 50' ' ' ILE . . . -73.64 -41.7 42.4 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.793 -0.717 . . . . 0.0 111.889 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.472 HD12 HG21 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -68.68 -22.94 64.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.929 0.395 . . . . 0.0 110.673 179.558 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.72 -28.84 36.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.61 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -99.0 -63.14 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 111.784 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.579 ' O ' HG23 ' A' ' 41' ' ' THR . 1.7 p90 -104.17 125.31 50.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.215 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.605 HG22 ' HB3' ' A' ' 46' ' ' ARG . 1.4 p -162.03 85.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.933 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -46.83 -40.15 13.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.286 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 117.22 -36.62 3.64 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.737 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -26.72 8.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.872 0.367 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 46' ' ' ARG . 0.3 OUTLIER -157.75 -66.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.64 179.856 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.605 ' HB3' HG22 ' A' ' 41' ' ' THR . 4.5 mtp85 87.86 -38.36 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -75.65 -50.45 15.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.082 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -70.72 -45.55 64.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -50.71 72.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.007 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.745 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -61.16 -37.73 78.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.044 0.449 . . . . 0.0 110.243 179.474 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.534 ' CD1' HD23 ' A' ' 67' ' ' LEU . 17.2 t80 -55.83 -49.41 73.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.442 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.421 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . 62.9 m-85 -68.28 -24.44 64.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.05 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.07 -52.39 24.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.774 0.321 . . . . 0.0 111.552 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.768 ' O ' HG12 ' A' ' 57' ' ' VAL . 1.7 p90 -78.73 0.46 26.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.892 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.421 ' HG3' ' HA ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -53.61 -22.81 9.34 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.55 0.214 . . . . 0.0 111.463 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 t -69.24 -34.42 74.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.675 0.274 . . . . 0.0 111.317 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.768 HG12 ' O ' ' A' ' 54' ' ' TYR . 10.9 p -84.34 -24.84 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.47 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -107.62 165.97 11.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.965 0.412 . . . . 0.0 111.121 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -64.39 114.65 14.97 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.142 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.403 ' HA ' ' HD2' ' A' ' 55' ' ' ARG . 31.6 Cg_exo -59.51 123.65 13.8 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.489 2.126 . . . . 0.0 112.273 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 179.84 136.81 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.02 104.38 0.3 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.802 HG22 ' HB2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER -156.11 41.59 0.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.062 -179.85 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.27 -34.7 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.965 0.412 . . . . 0.0 110.627 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.2 m -57.77 -42.68 84.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.173 0.511 . . . . 0.0 109.802 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.802 ' HB2' HG22 ' A' ' 63' ' ' THR . 16.0 tt0 -61.14 -32.17 71.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.037 178.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.785 HD21 HD13 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -62.69 -51.42 67.26 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.074 179.732 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -61.84 -27.9 69.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.059 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 66' ' ' GLN . 6.8 m-20 -67.28 -49.57 63.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.828 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.735 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.1 p-80 -80.5 -18.41 48.64 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.04 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.586 ' CZ3' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -85.58 -32.88 21.87 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 178.181 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.41 -32.24 54.6 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.29 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.46 -36.23 17.63 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.211 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.544 HG22 ' HA ' ' A' ' 71' ' ' TRP . 15.0 t -69.86 -45.53 67.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.731 0.3 . . . . 0.0 110.759 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.681 ' O ' HD13 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -64.38 -30.06 71.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.6 mmm-85 -108.92 -177.37 3.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -142.56 171.42 14.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.22 165.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.5 m -139.27 174.83 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.3 pt -118.4 147.75 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.33 118.41 29.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.61 169.55 17.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.29 146.11 28.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.964 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.9 128.06 0.82 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -85.72 -74.45 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.337 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -151.99 28.74 0.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 57.38 -155.4 18.18 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.548 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.1 179.65 3.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -64.36 145.44 56.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.4 m -96.81 174.32 6.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.5 t 60.66 100.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -98.29 159.67 14.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -96.37 84.38 3.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.095 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.37 -47.89 3.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 86.9 p -74.74 111.27 12.43 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.71 174.11 9.93 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.426 2.084 . . . . 0.0 112.325 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -139.14 120.47 14.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.0 pttt -149.79 -47.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -115.82 108.77 16.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.048 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.27 148.12 44.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 67.04 -73.63 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 13.0 ptt? -136.68 170.39 16.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -141.99 -61.43 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -60.46 143.64 52.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -89.72 -179.79 5.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.958 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 112.588 -0.205 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.34 147.11 58.43 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.606 2.204 . . . . 0.0 112.307 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.99 179.95 37.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.508 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.9 m -116.34 -37.91 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 110.939 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tp 62.27 31.63 17.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.09 85.62 2.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 61.05 -179.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -104.24 -49.97 3.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.04 -179.25 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.151 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -164.95 -65.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.979 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 m -133.0 148.03 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.07 169.47 25.09 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 14' ' ' GLY . 12.1 m -151.87 -46.38 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 0.0 111.09 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.428 ' N ' HG23 ' A' ' 13' ' ' VAL . . . 100.55 -28.71 14.61 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.497 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.8 t -162.61 126.37 2.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.816 0.341 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.2 m -98.65 34.38 2.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.6 p -149.49 143.8 25.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -135.86 54.49 0.74 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.445 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.35 127.24 52.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.67 85.18 1.69 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -162.61 31.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -123.2 38.62 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.785 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -102.01 79.54 1.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.799 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.9 tttt 57.8 35.4 25.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.417 ' HB3' ' CB ' ' A' ' 28' ' ' SER . 18.0 t80 -58.93 154.8 14.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.982 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.576 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 2.3 m -72.37 54.5 0.32 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.311 0.577 . . . . 0.0 109.52 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 26' ' ' SER . . . 163.15 -24.57 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.007 -178.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.417 ' CB ' ' HB3' ' A' ' 25' ' ' PHE . 10.9 t -56.35 -23.11 35.26 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.087 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.01 -50.18 67.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.593 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -56.29 -31.8 64.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.685 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.428 ' HA ' HG12 ' A' ' 34' ' ' ILE . 35.3 mt-10 -70.45 -32.47 70.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.456 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.7 -32.7 65.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.178 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' A' ' 30' ' ' ASP . 3.4 mt -73.79 -40.06 53.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.576 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.428 HG12 ' HA ' ' A' ' 31' ' ' GLU . 31.9 pt -64.32 -41.07 91.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.634 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.423 ' N ' HG13 ' A' ' 34' ' ' ILE . 3.8 mtpt -66.34 -43.96 84.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.131 0.491 . . . . 0.0 109.76 179.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.609 ' HA3' HD11 ' A' ' 50' ' ' ILE . . . -62.72 -48.65 79.63 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.576 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.582 HD12 HG21 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -54.91 -35.4 64.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.787 0.327 . . . . 0.0 110.592 179.498 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.18 -30.23 70.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.976 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.409 ' O ' ' CD1' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -116.58 18.85 14.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.512 -179.835 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.616 ' O ' HG23 ' A' ' 41' ' ' THR . 44.1 m-85 -149.23 106.18 3.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.908 0.385 . . . . 0.0 110.846 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 40' ' ' PHE . 2.7 p -163.3 76.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.751 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.1 mmmt -125.38 43.38 3.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.014 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.9 -174.08 43.46 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.479 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -98.7 30.5 3.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -151.47 39.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.732 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.434 ' O ' HG22 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.59 -28.86 65.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.239 -179.877 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.406 ' O ' HG22 ' A' ' 50' ' ' ILE . 84.3 m-85 -62.01 -50.46 71.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.99 0.424 . . . . 0.0 111.196 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.59 -46.2 63.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.812 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -59.4 -50.43 73.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.96 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.803 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -60.75 -38.07 77.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.086 0.47 . . . . 0.0 110.455 179.602 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.999 ' CD1' HD23 ' A' ' 67' ' ' LEU . 17.6 t80 -54.17 -50.94 65.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.006 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -68.18 -29.09 67.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.129 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.86 -52.58 28.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 0.0 111.088 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.502 ' CE2' ' HA ' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -79.35 6.14 10.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.812 179.497 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 26.5 ptt180 -52.94 113.12 0.99 Allowed 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 121.177 0.513 . . . . 0.0 111.097 -179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 169.72 -36.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.051 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.487 HG23 ' HE1' ' A' ' 54' ' ' TYR . 13.3 m -99.19 15.47 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.991 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.411 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 0.6 OUTLIER 179.06 135.74 0.09 Allowed 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.49 -179.631 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -168.11 76.5 0.87 Allowed Pre-proline 0 C--N 1.331 -0.221 0 CA-C-O 120.703 0.287 . . . . 0.0 111.376 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.414 ' HG3' ' CB ' ' A' ' 66' ' ' GLN . 83.1 Cg_endo -83.05 -160.72 0.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.754 2.303 . . . . 0.0 112.24 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.621 ' O ' HG23 ' A' ' 63' ' ' THR . . . -65.81 -81.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.785 0.326 . . . . 0.0 111.697 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.423 ' HB2' ' HB3' ' A' ' 65' ' ' SER . 29.4 mmt85 -60.44 -24.83 65.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.376 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 61' ' ' ALA . 14.6 p 61.13 -85.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.789 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.492 ' N ' ' OG1' ' A' ' 63' ' ' THR . 4.8 t -49.29 -33.34 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.754 0.312 . . . . 0.0 110.76 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.423 ' HB3' ' HB2' ' A' ' 62' ' ' ARG . 5.2 t -67.62 -39.77 84.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.062 179.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.414 ' CB ' ' HG3' ' A' ' 60' ' ' PRO . 2.9 tp60 -65.53 -32.54 74.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.094 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.999 HD23 ' CD1' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -65.09 -51.03 63.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.239 179.7 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -61.71 -28.33 69.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.192 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -71.55 -49.81 37.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.223 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.633 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 2.2 p-80 -81.04 -15.28 56.55 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.239 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.72 ' CZ3' HD23 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -86.75 -33.33 20.0 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.78 -31.84 52.14 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 121.032 0.444 . . . . 0.0 110.091 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -79.02 -40.56 16.35 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.173 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.8 m -67.43 -42.2 83.56 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 120.811 0.339 . . . . 0.0 110.718 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.72 HD23 ' CZ3' ' A' ' 71' ' ' TRP . 0.4 OUTLIER -57.34 -36.98 71.83 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.924 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -156.86 138.34 13.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -156.78 -49.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.92 123.87 38.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.3 114.6 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.163 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.5 pt -115.2 138.82 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.038 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -98.65 -31.47 11.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -103.9 164.92 11.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -108.96 162.16 14.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 154.86 113.54 0.48 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -129.95 108.05 9.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -168.37 140.09 2.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.982 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -176.93 166.87 37.88 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.532 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -170.01 141.16 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.787 0.327 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -124.47 -43.84 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -108.05 -46.95 3.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.3 p -174.43 -40.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 64.95 -75.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.256 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 61.36 97.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.061 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.96 -19.64 12.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.186 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.7 m 63.79 79.26 0.26 Allowed Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.7 -166.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.585 2.19 . . . . 0.0 112.256 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -149.34 128.81 13.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -160.32 51.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -161.68 135.37 6.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 t -80.91 109.51 15.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -132.02 100.15 4.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.8 mtt -152.41 140.92 20.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -109.1 -28.11 9.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 34.0 m120 61.67 102.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.003 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -150.83 167.69 26.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.947 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.03 -41.69 62.88 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.557 2.171 . . . . 0.0 112.313 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -128.68 167.68 20.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.5 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -148.22 156.53 42.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.359 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.455 HD23 ' H ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -110.54 175.63 5.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 p -101.89 173.17 6.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.35 31.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -125.09 30.16 5.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -176.03 37.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.076 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -134.87 -51.94 0.79 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.95 -30.79 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.058 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.63 107.08 0.98 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.551 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.2 m -126.28 171.7 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 111.174 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.35 166.54 2.23 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.1 m -88.57 -58.61 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.7 m -113.87 -36.39 4.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.5 m -59.65 134.56 57.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -163.11 149.34 16.89 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.409 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -112.4 177.69 4.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.777 0.322 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.92 -176.88 5.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -173.18 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 60.99 169.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.441 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 2.0 p90 -143.78 111.56 6.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.824 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -85.19 -87.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.451 ' O ' ' N ' ' A' ' 27' ' ' ALA . 4.9 m-85 60.46 139.86 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.677 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.579 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.8 OUTLIER -68.17 68.49 0.13 Allowed 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.445 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 26' ' ' SER . . . 79.33 -1.96 2.21 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.964 -178.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t 79.08 -29.8 0.15 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.491 ' O ' HG13 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -83.13 -43.79 15.83 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.246 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.43 ' O ' HG23 ' A' ' 34' ' ' ILE . 20.3 t0 -64.16 -30.31 71.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.276 179.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' CB ' ' CD2' ' A' ' 25' ' ' PHE . 2.3 mm-40 -70.52 -29.58 66.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.524 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.99 -37.63 58.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.778 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.542 HG22 ' CD1' ' A' ' 37' ' ' LEU . 2.1 mt -72.16 -39.92 65.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.81 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.765 HD12 ' N ' ' A' ' 35' ' ' LYS . 2.8 pp -67.01 -39.08 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.516 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.765 ' N ' HD12 ' A' ' 34' ' ' ILE . 30.8 tttt -73.69 -39.53 64.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.161 0.505 . . . . 0.0 109.777 178.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.424 ' HA3' ' CG1' ' A' ' 50' ' ' ILE . . . -66.55 -44.24 90.43 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.347 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.542 ' CD1' HG22 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -69.54 -31.77 70.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.342 . . . . 0.0 110.559 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.52 -26.16 67.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.169 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.53 -30.52 8.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.563 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.693 ' O ' HG23 ' A' ' 41' ' ' THR . 68.4 m-85 -110.39 132.86 53.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.849 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -168.93 -39.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.5 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.4 66.7 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.0 0.428 . . . . 0.0 110.761 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.19 163.22 35.88 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.616 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.434 ' O ' ' CB ' ' A' ' 45' ' ' GLN . 24.8 tp60 -63.99 81.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.731 0.301 . . . . 0.0 110.319 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.434 ' CB ' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER 80.67 105.93 0.07 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.904 -179.704 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.486 ' HB3' ' HA ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -90.28 -24.46 20.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.33 -179.904 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.506 ' CE1' HD21 ' A' ' 37' ' ' LEU . 6.5 m-85 -65.97 -48.21 72.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.19 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.568 ' HG3' HG21 ' A' ' 64' ' ' VAL . 5.4 tt0 -70.14 -48.0 59.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.076 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -60.45 -50.23 74.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.268 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.78 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -59.7 -40.51 82.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.954 0.407 . . . . 0.0 111.11 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.888 ' CD1' HD23 ' A' ' 67' ' ' LEU . 40.3 t80 -60.18 -38.25 82.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.793 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -68.36 -39.19 81.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.63 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.59 -53.1 38.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.862 0.363 . . . . 0.0 111.077 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.498 ' O ' ' CD1' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -79.78 4.84 15.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.665 179.475 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.491 ' CB ' ' HB2' ' A' ' 61' ' ' ALA . 2.3 ppt_? -52.86 -23.96 8.1 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.591 0.234 . . . . 0.0 111.432 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.44 -24.34 30.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.712 0.292 . . . . 0.0 110.884 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 58' ' ' TRP . 79.8 t -102.57 158.07 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.03 0.443 . . . . 0.0 111.089 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.482 ' N ' HG12 ' A' ' 57' ' ' VAL . 10.1 t90 67.71 -71.07 0.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.385 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -166.16 174.87 2.55 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.008 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -52.21 -174.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.597 2.198 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.491 ' HB2' ' CB ' ' A' ' 55' ' ' ARG . . . -113.45 48.24 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.317 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -120.71 47.27 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.676 HG22 ' OH ' ' A' ' 51' ' ' TYR . 11.5 t -165.72 48.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.568 HG21 ' HG3' ' A' ' 48' ' ' GLN . 95.3 t -51.23 -30.96 10.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.973 0.416 . . . . 0.0 110.0 179.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.6 m -59.66 -43.6 93.89 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.436 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 12.5 mt-30 -60.09 -36.95 78.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.418 178.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.888 HD23 ' CD1' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -55.03 -50.09 69.93 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.106 178.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.409 ' O ' ' HB2' ' A' ' 72' ' ' ARG . 5.1 m-30 -62.18 -29.54 70.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.704 178.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.37 -49.86 69.97 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.487 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.604 ' CE1' ' HA ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -74.68 -31.91 62.04 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.064 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.401 ' CH2' HD22 ' A' ' 75' ' ' LEU . 10.2 t90 -68.0 -29.1 68.04 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.128 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 68' ' ' TYR . 0.2 OUTLIER -79.28 -36.62 39.49 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.063 0.458 . . . . 0.0 109.9 179.032 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.81 -28.23 73.25 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.245 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.1 p -82.66 -45.46 14.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.932 0.396 . . . . 0.0 110.905 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.401 HD22 ' CH2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -100.09 -67.18 0.86 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 67.48 -74.13 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -102.72 152.91 20.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.917 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.3 mtmm -79.81 121.91 25.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 79' ' ' VAL . 14.6 p -102.48 114.52 42.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.064 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.9 mp -71.34 133.9 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.203 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -81.28 -36.56 29.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.977 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.9 pm0 -84.09 166.94 17.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -76.0 164.89 25.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -165.71 -168.41 27.84 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -103.62 93.86 5.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.893 0.378 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.73 -35.32 17.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 156.55 97.96 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.59 92.51 6.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.75 0.31 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -112.59 -74.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.36 -68.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.6 t -102.64 122.4 54.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.46 -64.43 0.86 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -165.83 -69.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.088 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 59.76 42.77 16.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.64 64.08 0.68 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.88 -171.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.644 2.229 . . . . 0.0 112.308 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -136.0 100.1 4.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.9 tttt 60.94 87.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -144.32 31.37 1.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.7 m -107.55 31.58 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -132.42 135.61 46.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.4 ptp -161.2 135.46 7.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 60.84 84.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -118.2 132.97 56.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -64.01 -34.73 78.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.939 179.953 . . . . . . . . 0 0 . 1 stop_ save_