data_2lks_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 2lks _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.499 ' NZ ' ' HZ2' ' A' ' 18' ' ' LYS . 4.6 pttp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.821 0.343 . . . . 0.0 110.583 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.97 -36.61 83.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.575 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.82 -39.4 93.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.604 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.05 -38.7 92.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.499 ' HZ2' ' NZ ' ' A' ' 14' ' ' LYS . 98.8 mttt -63.78 -40.77 97.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.542 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -62.73 -38.44 90.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.59 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.85 -39.72 90.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.585 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -61.44 -46.77 88.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.618 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.82 -42.81 97.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.68 -36.6 82.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.571 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.22 -43.56 98.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.51 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 28' ' ' LYS . 93.8 mt -63.46 -42.21 98.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.474 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.33 -40.71 96.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.603 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -64.12 -38.62 91.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.595 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.458 ' HZ1' ' CG ' ' A' ' 46' ' ' ASP . 99.1 mttt -95.01 147.78 23.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.622 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -76.37 145.05 39.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.552 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.9 t -136.13 72.11 60.65 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -48.48 140.1 21.89 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.668 2.245 . . . . 0.0 112.228 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.0 p -61.68 -32.15 72.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.46 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.433 ' O ' ' O ' ' A' ' 34' ' ' ALA . 92.7 m-20 -61.63 -40.21 94.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.481 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 33' ' ' ASN . . . -58.06 -150.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.593 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.3 p -158.44 161.0 37.43 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.011 0.434 . . . . 0.0 110.347 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.583 ' NE1' ' SD ' ' A' ' 40' ' ' MET . 76.3 t-105 -57.36 -41.24 79.76 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.409 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.85 -45.18 93.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.479 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -67.15 -40.76 86.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.593 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.32 89.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.537 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.583 ' SD ' ' NE1' ' A' ' 36' ' ' TRP . 91.0 mtp -65.26 -39.54 92.77 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.546 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.89 -31.52 72.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 91.0 mtp -62.49 -44.67 95.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.235 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.6 pt -73.08 -29.99 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.083 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.8 mt -64.4 -42.49 95.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -60.84 -40.52 93.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.392 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.458 ' CG ' ' HZ1' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -49.54 127.5 18.06 Favored Pre-proline 0 N--CA 1.444 -0.735 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.731 -179.855 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.412 ' O ' ' OG ' ' A' ' 50' ' ' SER . 59.0 Cg_exo -47.52 -30.32 11.77 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 122.767 2.312 . . . . 0.0 112.238 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -58.06 -29.79 65.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.598 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -58.57 -45.44 89.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.525 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 47' ' ' PRO . 78.1 p -60.03 -41.47 92.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.577 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.6 -37.65 87.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.584 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.73 -41.92 99.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.644 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.44 -41.99 96.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.661 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 56' ' ' SER . 98.7 mttt -64.38 -43.49 94.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.671 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 tp 39.99 23.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.654 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 54' ' ' LYS . 2.2 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.597 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.5 mttp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.837 0.351 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -66.04 -38.28 87.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.552 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.65 -39.49 91.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.567 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.44 91.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.5 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.96 -42.47 99.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.52 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -63.6 -38.48 91.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.573 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.07 -39.13 91.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.516 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -61.0 -46.66 89.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.595 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.18 -45.33 92.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.587 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.14 -34.75 78.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.515 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.7 tp -62.09 -41.81 98.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.472 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.34 -41.43 98.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.538 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.5 -41.25 98.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.629 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.23 -38.19 89.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.552 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -88.58 147.16 24.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.659 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -63.2 -41.73 99.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.579 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.3 t 40.59 73.8 0.81 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.342 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -48.79 141.88 20.18 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.631 2.221 . . . . 0.0 112.202 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.0 p -62.83 -22.51 66.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.489 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -62.71 -41.57 99.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.345 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.02 143.34 49.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.623 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.1 p -94.97 -168.92 1.89 Allowed 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.277 0.561 . . . . 0.0 110.205 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -63.71 -43.3 96.95 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.615 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -63.24 -43.74 97.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.476 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -68.77 -41.07 79.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.604 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.24 -39.11 91.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.601 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 84.1 mmm -63.82 -40.97 97.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.709 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.98 -36.51 82.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 56.1 mtt -61.59 -44.65 96.62 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.279 -178.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.0 pt -72.88 -28.0 26.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.0 mt -64.84 -42.62 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.755 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -61.71 -40.74 96.11 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.986 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.58 127.66 32.89 Favored Pre-proline 0 N--CA 1.443 -0.824 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.679 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -47.74 -30.05 12.2 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.51 2.14 . . . . 0.0 112.247 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -58.12 -23.77 56.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.559 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -59.13 -46.68 87.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.523 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.6 t -60.59 -44.95 95.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.37 . . . . 0.0 110.691 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.24 86.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.519 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.5 tp -62.62 -41.72 99.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.515 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.19 -36.55 82.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.498 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.24 -40.06 94.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.724 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 70.09 -62.87 0.42 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.653 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.366 -179.901 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 mttm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.723 0.297 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.14 -37.01 84.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.585 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.4 -39.13 91.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.631 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.88 95.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.575 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.95 -41.03 97.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.583 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -64.23 -31.19 72.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.485 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.05 -46.51 82.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.54 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -62.8 -44.76 95.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.657 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.29 -45.27 92.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.63 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -67.1 -34.68 78.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.54 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 52.6 tp -61.89 -41.98 98.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.425 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.28 -41.35 98.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.57 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.46 -41.36 98.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.586 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.84 -39.19 93.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.581 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -79.49 150.01 31.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.621 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -63.1 -40.63 98.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.567 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.7 t 46.36 74.89 0.73 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.311 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -49.09 147.04 11.49 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.642 2.228 . . . . 0.0 112.274 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.7 m -57.57 -35.27 70.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.486 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -61.81 -40.64 95.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.423 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.7 145.15 55.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.466 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.4 ' O ' ' CB ' ' A' ' 39' ' ' ALA . 84.3 p -127.55 -148.09 0.37 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.921 0.391 . . . . 0.0 110.376 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -64.18 -46.28 84.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.656 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.56 -48.46 79.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.605 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -69.24 -41.11 77.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.589 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 35' ' ' SER . . . -64.12 -37.99 89.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.589 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 53.2 ttp -62.68 -41.45 99.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.14 0.495 . . . . 0.0 110.481 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.98 -36.12 81.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.957 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 91.2 mtp -61.87 -44.57 96.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.568 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.0 pt -72.43 -32.45 42.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.97 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.6 mt -65.23 -42.31 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.792 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -61.53 -40.31 94.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.099 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.4 126.87 47.76 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.74 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -47.73 -29.61 11.37 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.473 2.115 . . . . 0.0 112.419 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.17 -23.48 55.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.617 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -58.6 -44.89 90.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.517 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 64.1 m -58.98 -42.17 89.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.519 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.41 90.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.54 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.01 -42.23 99.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.667 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.62 96.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.604 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 56' ' ' SER . 98.8 mttt -64.62 -44.04 91.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.707 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 tp 39.53 24.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.605 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 54' ' ' LYS . 1.3 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.515 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mttp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.758 0.313 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.05 -36.45 83.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.592 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.14 -39.14 92.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.589 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.67 91.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.566 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.3 -40.45 97.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -62.5 -30.76 71.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.548 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.51 -46.34 83.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.517 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -62.37 -44.56 96.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.674 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.4 -40.52 97.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.67 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -62.18 -43.63 98.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.543 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.06 -42.08 99.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.659 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.7 mt -64.41 -38.77 92.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.661 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 27' ' ' GLU . 88.8 tttt -59.0 -44.51 91.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.609 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 26' ' ' LYS . 97.4 mt-10 -40.86 162.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.562 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.29 -39.85 94.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.654 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -63.11 153.29 34.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.401 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.2 t 68.85 67.21 0.49 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.391 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -48.96 137.49 28.19 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.551 2.167 . . . . 0.0 112.111 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.4 p -70.07 -17.2 63.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.674 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -94.3 6.21 49.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.636 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.74 -109.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.638 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.1 t -155.9 130.39 8.95 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.999 0.428 . . . . 0.0 110.271 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -58.41 -38.48 77.47 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.49 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -61.73 -47.2 86.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.615 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -69.39 -40.14 77.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.725 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.14 -41.25 87.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.634 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.3 mtp -64.19 -41.16 97.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.038 0.447 . . . . 0.0 110.565 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -67.27 -36.51 81.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.995 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 90.2 mtp -61.73 -44.78 96.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.264 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.6 pt -72.05 -30.31 35.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.92 0.39 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.4 mt -64.76 -42.0 93.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.743 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -60.8 -41.54 95.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.137 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -46.72 109.57 1.06 Allowed Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.211 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -47.63 -33.99 19.6 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.457 2.105 . . . . 0.0 112.45 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 90.4 mtm-85 -61.6 -33.02 73.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.608 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -60.24 -42.54 95.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.597 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.4 m -57.54 -42.76 83.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.494 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.43 -36.38 83.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.467 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.8 tt -62.12 -42.33 99.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.566 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.54 91.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.512 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 56' ' ' SER . 98.8 mttt -63.27 -42.24 99.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.542 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 tp 41.16 23.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.63 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 54' ' ' LYS . 7.8 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.591 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.766 0.317 . . . . 0.0 110.545 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.68 -37.17 85.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.506 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -65.47 -38.61 90.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.501 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.53 -37.89 89.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.572 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.2 -40.98 99.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.541 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -62.97 -40.12 96.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.559 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.1 89.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.512 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.46 -46.35 90.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.585 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.51 -41.97 98.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.645 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.88 -38.25 88.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.569 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.54 -41.84 99.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.555 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 28' ' ' LYS . 93.1 mt -62.9 -42.14 99.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.623 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.75 -42.38 97.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.658 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -66.68 -38.17 86.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.6 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 25' ' ' LEU . 99.3 mttt -91.47 152.16 20.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.671 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -73.04 143.68 47.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.489 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 80.4 t -144.11 70.79 16.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.341 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -49.01 138.39 27.44 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.634 2.223 . . . . 0.0 112.207 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.6 p -61.72 -32.94 73.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.502 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.447 ' O ' ' O ' ' A' ' 34' ' ' ALA . 92.5 m-20 -61.65 -40.13 93.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.527 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.447 ' O ' ' O ' ' A' ' 33' ' ' ASN . . . -57.12 -153.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.676 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.1 p -157.19 164.71 37.48 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.211 0.529 . . . . 0.0 109.975 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -57.03 -39.63 75.17 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.453 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -61.55 -44.94 96.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.404 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -69.58 -39.23 77.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.425 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.81 -38.59 88.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.527 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.9 mtp -65.29 -40.04 93.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.56 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -67.29 -31.46 71.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.878 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.7 mmm -62.05 -44.48 96.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.964 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.6 pt -73.5 -26.59 22.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.84 0.352 . . . . 0.0 110.686 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.55 -42.69 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.69 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -62.95 -41.54 99.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.178 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.47 106.45 0.41 Allowed Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.304 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -47.92 -34.7 23.08 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 C-N-CA 122.495 2.13 . . . . 0.0 112.295 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -66.09 -15.88 63.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.605 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -56.82 -39.9 75.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.418 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.3 p -56.98 -26.57 60.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.444 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.05 -35.7 81.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.447 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.16 -42.31 99.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.637 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.73 -39.08 93.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.588 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 56' ' ' SER . 98.8 mttt -63.47 -42.29 98.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.623 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 tp 41.39 22.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.6 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 54' ' ' LYS . 36.1 t . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.619 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.839 0.352 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.23 -38.61 88.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.592 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.7 -43.15 94.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.66 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.29 -37.99 88.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.636 ' HZ1' ' HZ1' ' A' ' 22' ' ' LYS . 65.9 tttm -62.96 -43.21 99.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.721 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -64.37 -27.73 69.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.566 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.58 83.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.553 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -60.71 -46.44 90.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.563 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.636 ' HZ1' ' HZ1' ' A' ' 18' ' ' LYS . 63.7 mttp -63.53 -41.02 98.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.612 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -64.13 -36.93 85.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.517 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.43 -43.15 99.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.472 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.423 ' O ' ' O ' ' A' ' 28' ' ' LYS . 94.5 mt -63.19 -41.77 99.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.55 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.21 -39.88 95.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.572 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -61.25 -38.33 86.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.535 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.466 ' NZ ' ' CG ' ' A' ' 46' ' ' ASP . 99.2 mttt -97.17 145.96 25.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.601 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -62.36 -43.31 99.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.434 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.2 t 48.66 74.28 0.84 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.368 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -48.54 141.97 18.81 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.677 2.251 . . . . 0.0 112.252 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.8 p -64.83 -19.52 65.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.424 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -62.36 -41.07 98.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.718 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.76 143.94 52.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.515 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.8 p -90.99 -171.6 3.05 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.088 0.471 . . . . 0.0 110.474 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -64.65 -41.3 96.21 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.505 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.32 -45.18 92.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.553 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -68.55 -40.3 80.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.58 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.6 -40.36 94.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.587 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.0 mtp -64.53 -40.26 95.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.078 0.466 . . . . 0.0 110.692 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.34 -34.88 78.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 85.7 mtp -61.25 -44.89 96.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.265 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.8 pt -72.47 -27.85 26.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.9 mt -64.11 -42.42 95.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.757 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -60.26 -41.73 93.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.377 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.466 ' CG ' ' NZ ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -46.31 108.73 0.87 Allowed Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.379 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.424 ' O ' ' OG ' ' A' ' 50' ' ' SER . 62.7 Cg_exo -47.45 -33.8 18.08 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 122.654 2.236 . . . . 0.0 112.241 -179.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.46 -33.19 74.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.704 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -60.29 -44.89 94.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.602 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 47' ' ' PRO . 77.7 p -59.23 -41.14 88.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.42 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.68 -36.04 82.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.01 -43.04 99.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.537 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.24 93.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.543 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -63.14 -43.3 98.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.473 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 tp 42.03 37.26 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.733 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.597 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 mtmm . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.757 0.313 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.86 -37.7 86.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.641 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.76 -38.05 88.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.31 -38.55 91.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.561 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.45 -41.96 98.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.574 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.29 -40.27 95.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.635 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.94 89.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.586 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -60.19 -45.7 92.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.54 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.89 -38.28 90.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.442 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -62.77 -39.39 94.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.525 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.5 mt -62.9 -42.36 99.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.58 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 98.1 mt -63.36 -41.94 98.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.93 -42.72 99.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.465 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -64.79 -40.46 95.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.431 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -83.86 139.68 32.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.533 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.6 -41.02 96.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.688 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.9 t 40.49 71.14 1.31 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.404 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -48.46 141.26 19.84 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.727 2.285 . . . . 0.0 112.151 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.1 p -64.22 -20.75 66.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.574 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' A' ' 34' ' ' ALA . 94.1 m-20 -62.82 -40.71 98.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.495 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 33' ' ' ASN . . . -59.43 -145.37 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.522 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.6 p -158.87 162.15 36.91 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.826 0.346 . . . . 0.0 110.527 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 49.3 t-105 -58.13 -41.07 82.86 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.474 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.57 -45.4 90.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.508 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -66.54 -41.94 87.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.672 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.8 88.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.536 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 52.9 ttp -64.48 -39.04 93.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.162 0.506 . . . . 0.0 110.416 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.14 -32.33 72.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.832 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 90.8 mtp -62.34 -44.35 96.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.225 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.4 pt -72.27 -26.76 25.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.199 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.0 mt -64.29 -42.0 94.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.653 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -60.47 -41.07 93.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.267 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.29 109.29 0.97 Allowed Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.368 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -47.49 -36.52 24.25 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.771 2.314 . . . . 0.0 112.183 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.81 -33.32 74.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.687 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -61.57 -19.45 62.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.546 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.7 t -60.45 -42.62 96.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.578 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.24 -37.83 86.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.568 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.68 -41.67 99.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.748 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.73 94.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.56 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.446 ' C ' ' H ' ' A' ' 56' ' ' SER . 98.8 mttt -63.48 -42.13 98.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.652 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mt 47.18 16.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.613 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.446 ' H ' ' C ' ' A' ' 54' ' ' LYS . 92.1 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.544 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.5 mttt . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.734 0.302 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -66.06 -34.88 79.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.63 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.3 -38.14 89.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.507 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.39 87.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.49 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.99 -42.15 99.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.528 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.48 -39.45 93.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.541 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.15 -36.44 83.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.492 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -58.98 -46.23 88.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.564 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.3 -41.85 99.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.653 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -66.62 -37.02 83.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.67 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.0 mt -62.49 -41.54 98.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.665 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.8 -42.3 99.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.678 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.81 -43.14 97.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.81 -39.07 84.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.664 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HZ2' ' CB ' ' A' ' 46' ' ' ASP . 99.2 mttt -86.93 147.91 25.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.565 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -74.58 146.19 42.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.548 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.2 t -136.27 73.78 56.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.395 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -48.51 144.38 14.0 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.751 2.3 . . . . 0.0 112.268 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.2 p -60.31 -32.66 71.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.435 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -62.07 -41.1 97.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.525 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.84 144.02 52.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.504 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.5 p -110.17 -155.73 0.57 Allowed 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.605 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -67.5 -42.96 82.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.624 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.84 -45.32 86.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.613 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -69.03 -40.23 78.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.663 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.6 98.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.573 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.2 mtp -65.0 -40.6 95.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.117 0.484 . . . . 0.0 110.668 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -67.3 -34.5 77.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.799 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 65.5 mmm -61.72 -44.89 96.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.33 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.3 pt -72.81 -27.81 25.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.6 mt -64.83 -42.13 94.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.667 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -59.98 -42.1 93.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.332 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.434 ' CB ' ' HZ2' ' A' ' 28' ' ' LYS . 37.9 t0 -47.06 109.06 0.97 Allowed Pre-proline 0 N--CA 1.45 -0.437 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.319 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -47.46 -34.26 19.14 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.767 2.311 . . . . 0.0 112.225 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -61.51 -32.81 72.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.696 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -60.16 -43.0 96.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.5 t -59.23 -44.42 92.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.453 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.78 -36.15 83.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.555 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.0 tt -61.73 -42.18 98.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.584 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.92 87.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.518 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 55' ' ' LEU . 98.9 mttt -62.96 -42.06 99.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.586 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 54' ' ' LYS . 2.1 tp 51.05 102.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.631 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.0 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.563 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.869 0.366 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.15 -35.4 80.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.586 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -63.28 -41.22 98.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.532 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.68 91.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.478 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.61 -41.33 98.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.662 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -64.31 -27.75 69.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.595 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.3 -42.17 77.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.564 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -63.71 -41.35 98.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.6 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.77 -41.7 99.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.651 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -63.61 -40.38 96.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.597 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.15 -41.87 99.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.549 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 28' ' ' LYS . 91.3 mt -63.07 -42.8 99.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.524 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.41 -42.2 96.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.606 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -66.27 -38.8 88.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.499 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 25' ' ' LEU . 68.8 mttm -91.35 146.64 23.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.599 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -78.96 144.01 35.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.543 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.3 t -137.63 70.71 52.01 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.279 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -49.18 139.29 27.54 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.563 2.175 . . . . 0.0 112.23 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.3 p -61.61 -32.99 73.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.513 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 34' ' ' ALA . 92.6 m-20 -61.92 -40.32 95.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.56 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 33' ' ' ASN . . . -58.3 -148.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.633 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.5 p -158.38 161.47 37.56 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 121.227 0.537 . . . . 0.0 109.911 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -59.36 -39.12 82.23 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.423 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.88 -44.62 96.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.471 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -67.45 -40.85 85.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.578 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.61 91.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.519 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.4 mmm -64.04 -40.21 95.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.503 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.92 -33.67 76.1 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.97 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 91.1 mtp -61.96 -44.39 96.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.437 -179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.5 pt -73.13 -27.05 23.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.836 0.351 . . . . 0.0 110.874 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.7 mt -64.17 -41.91 93.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.79 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -60.71 -41.59 95.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.064 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -47.02 109.52 1.07 Allowed Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.237 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -47.82 -34.21 21.28 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 122.344 2.029 . . . . 0.0 112.478 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -62.85 -33.68 75.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.728 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -60.71 -44.59 96.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.622 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.9 m -58.73 -43.31 90.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.483 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.28 -36.57 84.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.504 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 tt -62.2 -42.83 99.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.563 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.49 -40.13 95.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.569 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 55' ' ' LEU . 98.6 mttt -63.45 -42.22 98.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.704 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.407 ' O ' ' O ' ' A' ' 54' ' ' LYS . 1.9 tp 41.66 -163.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.812 0.339 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.21 -36.62 83.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.619 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.37 -38.98 91.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.499 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.64 -38.59 91.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.582 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.4 -41.55 98.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.655 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -63.85 -39.85 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.637 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.06 -38.47 91.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.656 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.77 -45.87 92.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.578 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.17 -40.98 99.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -65.28 -37.22 86.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.537 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.31 -42.77 99.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.518 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 28' ' ' LYS . 94.4 mt -62.98 -41.52 99.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.485 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.04 -39.93 96.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.518 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -61.59 -38.29 87.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.576 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 25' ' ' LEU . 99.3 mttt -96.74 146.52 24.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.582 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -64.24 -40.67 96.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.589 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.3 t 41.13 70.67 1.52 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -48.48 138.57 24.15 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.678 2.252 . . . . 0.0 112.252 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.6 p -75.9 162.66 27.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.487 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.2 m120 55.7 34.53 23.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.592 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.01 -95.82 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.639 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.9 t -167.71 123.82 1.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.542 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -62.39 -38.33 89.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.596 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -59.18 -45.66 90.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.578 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -67.14 -41.19 86.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.566 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.2 91.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.634 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.9 mtp -64.03 -40.43 96.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.145 0.497 . . . . 0.0 110.615 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -67.22 -33.84 76.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 89.6 mtp -62.64 -44.67 95.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.172 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.4 pt -72.99 -27.57 24.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.9 mt -64.54 -42.52 95.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.601 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -62.5 -40.25 96.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.435 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.69 128.5 13.94 Favored Pre-proline 0 N--CA 1.444 -0.761 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.736 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_exo -47.74 -28.91 10.23 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.775 2.317 . . . . 0.0 112.191 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -58.55 -31.8 68.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.615 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -58.73 -46.47 87.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.475 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 62.8 m -60.11 -42.82 95.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.583 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.47 84.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.567 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.37 -41.54 98.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.648 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.59 -39.09 93.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.559 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 56' ' ' SER . 99.1 mttt -84.88 -12.9 52.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mt 45.37 17.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.605 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 54' ' ' LYS . 57.3 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.564 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.501 ' C ' ' H ' ' A' ' 15' ' ' GLU . 82.6 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.792 0.33 . . . . 0.0 110.536 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.499 ' NZ ' ' HZ2' ' A' ' 18' ' ' LYS . 4.6 pttp -53.42 -8.47 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.583 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.501 ' H ' ' C ' ' A' ' 13' ' ' THR . 80.6 mm-40 -65.97 -36.61 83.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.575 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.82 -39.4 93.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.604 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.05 -38.7 92.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.499 ' HZ2' ' NZ ' ' A' ' 14' ' ' LYS . 98.8 mttt -63.78 -40.77 97.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.542 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -62.73 -38.44 90.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.59 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.85 -39.72 90.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.585 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -61.44 -46.77 88.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.618 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.82 -42.81 97.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.68 -36.6 82.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.571 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.22 -43.56 98.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.51 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 28' ' ' LYS . 93.8 mt -63.46 -42.21 98.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.474 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.33 -40.71 96.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.603 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -64.12 -38.62 91.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.595 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.458 ' HZ1' ' CG ' ' A' ' 46' ' ' ASP . 99.1 mttt -95.01 147.78 23.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.622 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -76.37 145.05 39.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.552 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.9 t -136.13 72.11 60.65 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -48.48 140.1 21.89 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.668 2.245 . . . . 0.0 112.228 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.0 p -61.68 -32.15 72.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.46 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.433 ' O ' ' O ' ' A' ' 34' ' ' ALA . 92.7 m-20 -61.63 -40.21 94.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.481 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 33' ' ' ASN . . . -58.06 -150.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.593 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.3 p -158.44 161.0 37.43 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.011 0.434 . . . . 0.0 110.347 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.583 ' NE1' ' SD ' ' A' ' 40' ' ' MET . 76.3 t-105 -57.36 -41.24 79.76 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.409 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.85 -45.18 93.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.479 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -67.15 -40.76 86.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.593 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.32 89.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.537 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.583 ' SD ' ' NE1' ' A' ' 36' ' ' TRP . 91.0 mtp -65.26 -39.54 92.77 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.546 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.89 -31.52 72.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 91.0 mtp -62.49 -44.67 95.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.235 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.6 pt -73.08 -29.99 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.083 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.8 mt -64.4 -42.49 95.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -60.84 -40.52 93.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.392 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.458 ' CG ' ' HZ1' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -49.54 127.5 18.06 Favored Pre-proline 0 N--CA 1.444 -0.735 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.731 -179.855 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.412 ' O ' ' OG ' ' A' ' 50' ' ' SER . 59.0 Cg_exo -47.52 -30.32 11.77 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 122.767 2.312 . . . . 0.0 112.238 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -58.06 -29.79 65.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.598 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -58.57 -45.44 89.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.525 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 47' ' ' PRO . 78.1 p -60.03 -41.47 92.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.577 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.6 -37.65 87.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.584 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.73 -41.92 99.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.644 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.44 -41.99 96.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.661 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 56' ' ' SER . 98.7 mttt -64.38 -43.49 94.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.671 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 tp 39.99 23.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.654 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 54' ' ' LYS . 2.2 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.597 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.521 ' C ' ' H ' ' A' ' 15' ' ' GLU . 52.8 m . . . . . 0 C--O 1.23 0.03 0 CA-C-O 120.792 0.33 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.4 ' N ' ' CG2' ' A' ' 13' ' ' THR . 54.5 mttp 51.97 9.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.61 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.521 ' H ' ' C ' ' A' ' 13' ' ' THR . 83.3 tt0 -66.04 -38.28 87.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.552 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.65 -39.49 91.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.567 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.44 91.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.5 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.96 -42.47 99.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.52 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -63.6 -38.48 91.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.573 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.07 -39.13 91.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.516 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -61.0 -46.66 89.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.595 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.18 -45.33 92.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.587 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.14 -34.75 78.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.515 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.7 tp -62.09 -41.81 98.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.472 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.34 -41.43 98.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.538 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.5 -41.25 98.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.629 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.23 -38.19 89.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.552 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -88.58 147.16 24.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.659 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -63.2 -41.73 99.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.579 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.3 t 40.59 73.8 0.81 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.342 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -48.79 141.88 20.18 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.631 2.221 . . . . 0.0 112.202 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.0 p -62.83 -22.51 66.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.489 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -62.71 -41.57 99.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.345 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.02 143.34 49.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.623 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.1 p -94.97 -168.92 1.89 Allowed 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.277 0.561 . . . . 0.0 110.205 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -63.71 -43.3 96.95 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.615 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -63.24 -43.74 97.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.476 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -68.77 -41.07 79.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.604 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.24 -39.11 91.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.601 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 84.1 mmm -63.82 -40.97 97.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.709 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.98 -36.51 82.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 56.1 mtt -61.59 -44.65 96.62 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.279 -178.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.0 pt -72.88 -28.0 26.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.0 mt -64.84 -42.62 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.755 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -61.71 -40.74 96.11 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.986 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.58 127.66 32.89 Favored Pre-proline 0 N--CA 1.443 -0.824 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.679 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -47.74 -30.05 12.2 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.51 2.14 . . . . 0.0 112.247 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -58.12 -23.77 56.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.559 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -59.13 -46.68 87.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.523 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.6 t -60.59 -44.95 95.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.37 . . . . 0.0 110.691 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.24 86.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.519 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.5 tp -62.62 -41.72 99.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.515 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.19 -36.55 82.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.498 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.24 -40.06 94.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.724 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 70.09 -62.87 0.42 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.653 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.366 -179.901 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.522 ' C ' ' H ' ' A' ' 15' ' ' GLU . 30.6 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.788 0.328 . . . . 0.0 110.561 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -73.15 16.68 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.523 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.522 ' H ' ' C ' ' A' ' 13' ' ' THR . 97.3 mt-10 -66.14 -37.01 84.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.585 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.4 -39.13 91.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.631 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.88 95.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.575 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.95 -41.03 97.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.583 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -64.23 -31.19 72.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.485 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.05 -46.51 82.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.54 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -62.8 -44.76 95.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.657 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.29 -45.27 92.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.63 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -67.1 -34.68 78.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.54 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 52.6 tp -61.89 -41.98 98.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.425 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.28 -41.35 98.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.57 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.46 -41.36 98.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.586 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.84 -39.19 93.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.581 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -79.49 150.01 31.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.621 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -63.1 -40.63 98.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.567 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.7 t 46.36 74.89 0.73 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.311 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -49.09 147.04 11.49 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.642 2.228 . . . . 0.0 112.274 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.7 m -57.57 -35.27 70.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.486 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -61.81 -40.64 95.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.423 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.7 145.15 55.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.466 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.4 ' O ' ' CB ' ' A' ' 39' ' ' ALA . 84.3 p -127.55 -148.09 0.37 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.921 0.391 . . . . 0.0 110.376 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -64.18 -46.28 84.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.656 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.56 -48.46 79.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.605 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -69.24 -41.11 77.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.589 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 35' ' ' SER . . . -64.12 -37.99 89.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.589 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 53.2 ttp -62.68 -41.45 99.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.14 0.495 . . . . 0.0 110.481 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.98 -36.12 81.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.957 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 91.2 mtp -61.87 -44.57 96.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.568 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.0 pt -72.43 -32.45 42.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.97 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.6 mt -65.23 -42.31 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.792 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -61.53 -40.31 94.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.099 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.4 126.87 47.76 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.74 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -47.73 -29.61 11.37 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.473 2.115 . . . . 0.0 112.419 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.17 -23.48 55.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.617 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -58.6 -44.89 90.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.517 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 64.1 m -58.98 -42.17 89.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.519 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.41 90.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.54 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.01 -42.23 99.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.667 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.62 96.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.604 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 56' ' ' SER . 98.8 mttt -64.62 -44.04 91.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.707 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 tp 39.53 24.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.605 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 54' ' ' LYS . 1.3 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.515 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.481 ' C ' ' H ' ' A' ' 15' ' ' GLU . 90.9 m . . . . . 0 C--O 1.23 0.032 0 CA-C-O 120.839 0.352 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -75.53 18.12 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.531 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' A' ' 13' ' ' THR . 97.3 mt-10 -66.05 -36.45 83.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.592 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.14 -39.14 92.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.589 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.67 91.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.566 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.3 -40.45 97.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -62.5 -30.76 71.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.548 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.51 -46.34 83.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.517 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -62.37 -44.56 96.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.674 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.4 -40.52 97.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.67 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -62.18 -43.63 98.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.543 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.06 -42.08 99.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.659 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.7 mt -64.41 -38.77 92.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.661 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 27' ' ' GLU . 88.8 tttt -59.0 -44.51 91.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.609 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 26' ' ' LYS . 97.4 mt-10 -40.86 162.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.562 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.29 -39.85 94.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.654 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -63.11 153.29 34.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.401 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.2 t 68.85 67.21 0.49 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.391 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -48.96 137.49 28.19 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.551 2.167 . . . . 0.0 112.111 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.4 p -70.07 -17.2 63.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.674 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -94.3 6.21 49.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.636 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.74 -109.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.638 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.1 t -155.9 130.39 8.95 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.999 0.428 . . . . 0.0 110.271 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -58.41 -38.48 77.47 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.49 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -61.73 -47.2 86.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.615 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -69.39 -40.14 77.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.725 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.14 -41.25 87.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.634 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.3 mtp -64.19 -41.16 97.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.038 0.447 . . . . 0.0 110.565 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -67.27 -36.51 81.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.995 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 90.2 mtp -61.73 -44.78 96.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.264 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.6 pt -72.05 -30.31 35.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.92 0.39 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.4 mt -64.76 -42.0 93.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.743 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -60.8 -41.54 95.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.137 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -46.72 109.57 1.06 Allowed Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.211 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -47.63 -33.99 19.6 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.457 2.105 . . . . 0.0 112.45 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 90.4 mtm-85 -61.6 -33.02 73.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.608 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -60.24 -42.54 95.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.597 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.4 m -57.54 -42.76 83.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.494 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.43 -36.38 83.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.467 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.8 tt -62.12 -42.33 99.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.566 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.54 91.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.512 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 56' ' ' SER . 98.8 mttt -63.27 -42.24 99.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.542 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 tp 41.16 23.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.63 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 54' ' ' LYS . 7.8 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.591 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.509 ' C ' ' H ' ' A' ' 15' ' ' GLU . 17.1 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.768 0.318 . . . . 0.0 110.559 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.98 16.34 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.509 ' H ' ' C ' ' A' ' 13' ' ' THR . 97.4 mt-10 -65.68 -37.17 85.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.506 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -65.47 -38.61 90.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.501 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.53 -37.89 89.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.572 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.2 -40.98 99.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.541 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -62.97 -40.12 96.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.559 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.1 89.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.512 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.46 -46.35 90.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.585 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.51 -41.97 98.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.645 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.88 -38.25 88.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.569 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.54 -41.84 99.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.555 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 28' ' ' LYS . 93.1 mt -62.9 -42.14 99.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.623 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.75 -42.38 97.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.658 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -66.68 -38.17 86.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.6 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 25' ' ' LEU . 99.3 mttt -91.47 152.16 20.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.671 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -73.04 143.68 47.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.489 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 80.4 t -144.11 70.79 16.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.341 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -49.01 138.39 27.44 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.634 2.223 . . . . 0.0 112.207 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.6 p -61.72 -32.94 73.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.502 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.447 ' O ' ' O ' ' A' ' 34' ' ' ALA . 92.5 m-20 -61.65 -40.13 93.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.527 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.447 ' O ' ' O ' ' A' ' 33' ' ' ASN . . . -57.12 -153.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.676 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.1 p -157.19 164.71 37.48 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.211 0.529 . . . . 0.0 109.975 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -57.03 -39.63 75.17 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.453 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -61.55 -44.94 96.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.404 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -69.58 -39.23 77.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.425 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.81 -38.59 88.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.527 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.9 mtp -65.29 -40.04 93.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.56 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -67.29 -31.46 71.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.878 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.7 mmm -62.05 -44.48 96.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.964 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.6 pt -73.5 -26.59 22.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.84 0.352 . . . . 0.0 110.686 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.55 -42.69 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.69 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -62.95 -41.54 99.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.178 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.47 106.45 0.41 Allowed Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.304 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -47.92 -34.7 23.08 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 C-N-CA 122.495 2.13 . . . . 0.0 112.295 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -66.09 -15.88 63.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.605 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -56.82 -39.9 75.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.418 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.3 p -56.98 -26.57 60.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.444 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.05 -35.7 81.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.447 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.16 -42.31 99.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.637 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.73 -39.08 93.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.588 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 56' ' ' SER . 98.8 mttt -63.47 -42.29 98.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.623 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 tp 41.39 22.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.6 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 54' ' ' LYS . 36.1 t . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.619 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.7 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.735 0.302 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 41.65 35.86 0.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.609 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.23 -38.61 88.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.592 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.7 -43.15 94.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.66 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.29 -37.99 88.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.636 ' HZ1' ' HZ1' ' A' ' 22' ' ' LYS . 65.9 tttm -62.96 -43.21 99.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.721 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -64.37 -27.73 69.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.566 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.58 83.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.553 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -60.71 -46.44 90.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.563 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.636 ' HZ1' ' HZ1' ' A' ' 18' ' ' LYS . 63.7 mttp -63.53 -41.02 98.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.612 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -64.13 -36.93 85.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.517 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.43 -43.15 99.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.472 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.423 ' O ' ' O ' ' A' ' 28' ' ' LYS . 94.5 mt -63.19 -41.77 99.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.55 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.21 -39.88 95.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.572 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -61.25 -38.33 86.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.535 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.466 ' NZ ' ' CG ' ' A' ' 46' ' ' ASP . 99.2 mttt -97.17 145.96 25.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.601 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -62.36 -43.31 99.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.434 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.2 t 48.66 74.28 0.84 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.368 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -48.54 141.97 18.81 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.677 2.251 . . . . 0.0 112.252 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.8 p -64.83 -19.52 65.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.424 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -62.36 -41.07 98.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.718 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.76 143.94 52.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.515 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.8 p -90.99 -171.6 3.05 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.088 0.471 . . . . 0.0 110.474 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -64.65 -41.3 96.21 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.505 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.32 -45.18 92.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.553 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -68.55 -40.3 80.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.58 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.6 -40.36 94.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.587 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.0 mtp -64.53 -40.26 95.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.078 0.466 . . . . 0.0 110.692 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.34 -34.88 78.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 85.7 mtp -61.25 -44.89 96.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.265 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.8 pt -72.47 -27.85 26.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.9 mt -64.11 -42.42 95.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.757 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -60.26 -41.73 93.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.377 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.466 ' CG ' ' NZ ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -46.31 108.73 0.87 Allowed Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.379 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.424 ' O ' ' OG ' ' A' ' 50' ' ' SER . 62.7 Cg_exo -47.45 -33.8 18.08 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 122.654 2.236 . . . . 0.0 112.241 -179.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.46 -33.19 74.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.704 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -60.29 -44.89 94.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.602 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 47' ' ' PRO . 77.7 p -59.23 -41.14 88.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.42 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.68 -36.04 82.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.01 -43.04 99.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.537 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.24 93.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.543 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -63.14 -43.3 98.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.473 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 tp 42.03 37.26 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.733 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.597 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.509 ' C ' ' H ' ' A' ' 15' ' ' GLU . 13.1 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.821 0.343 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 mtmm -75.38 30.4 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.566 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.509 ' H ' ' C ' ' A' ' 13' ' ' THR . 97.3 mt-10 -65.86 -37.7 86.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.641 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.76 -38.05 88.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.31 -38.55 91.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.561 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.45 -41.96 98.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.574 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.29 -40.27 95.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.635 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.94 89.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.586 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -60.19 -45.7 92.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.54 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.89 -38.28 90.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.442 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -62.77 -39.39 94.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.525 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.5 mt -62.9 -42.36 99.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.58 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 98.1 mt -63.36 -41.94 98.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.93 -42.72 99.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.465 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -64.79 -40.46 95.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.431 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -83.86 139.68 32.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.533 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.6 -41.02 96.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.688 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.9 t 40.49 71.14 1.31 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.404 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -48.46 141.26 19.84 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.727 2.285 . . . . 0.0 112.151 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.1 p -64.22 -20.75 66.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.574 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' A' ' 34' ' ' ALA . 94.1 m-20 -62.82 -40.71 98.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.495 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 33' ' ' ASN . . . -59.43 -145.37 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.522 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.6 p -158.87 162.15 36.91 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.826 0.346 . . . . 0.0 110.527 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 49.3 t-105 -58.13 -41.07 82.86 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.474 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.57 -45.4 90.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.508 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -66.54 -41.94 87.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.672 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.8 88.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.536 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 52.9 ttp -64.48 -39.04 93.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.162 0.506 . . . . 0.0 110.416 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.14 -32.33 72.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.832 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 90.8 mtp -62.34 -44.35 96.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.225 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.4 pt -72.27 -26.76 25.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.199 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.0 mt -64.29 -42.0 94.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.653 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -60.47 -41.07 93.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.267 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.29 109.29 0.97 Allowed Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.368 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -47.49 -36.52 24.25 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.771 2.314 . . . . 0.0 112.183 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.81 -33.32 74.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.687 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -61.57 -19.45 62.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.546 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.7 t -60.45 -42.62 96.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.578 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.24 -37.83 86.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.568 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.68 -41.67 99.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.748 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.73 94.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.56 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.446 ' C ' ' H ' ' A' ' 56' ' ' SER . 98.8 mttt -63.48 -42.13 98.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.652 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mt 47.18 16.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.613 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.446 ' H ' ' C ' ' A' ' 54' ' ' LYS . 92.1 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.544 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.6 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.825 0.345 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.5 mttt 58.96 52.67 6.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.608 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -66.06 -34.88 79.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.63 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.3 -38.14 89.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.507 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.39 87.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.49 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.99 -42.15 99.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.528 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.48 -39.45 93.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.541 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.15 -36.44 83.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.492 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -58.98 -46.23 88.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.564 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.3 -41.85 99.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.653 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -66.62 -37.02 83.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.67 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.0 mt -62.49 -41.54 98.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.665 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.8 -42.3 99.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.678 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.81 -43.14 97.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.81 -39.07 84.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.664 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HZ2' ' CB ' ' A' ' 46' ' ' ASP . 99.2 mttt -86.93 147.91 25.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.565 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -74.58 146.19 42.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.548 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.2 t -136.27 73.78 56.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.395 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -48.51 144.38 14.0 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.751 2.3 . . . . 0.0 112.268 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.2 p -60.31 -32.66 71.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.435 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -62.07 -41.1 97.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.525 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.84 144.02 52.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.504 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.5 p -110.17 -155.73 0.57 Allowed 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.605 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -67.5 -42.96 82.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.624 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.84 -45.32 86.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.613 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -69.03 -40.23 78.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.663 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.6 98.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.573 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.2 mtp -65.0 -40.6 95.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.117 0.484 . . . . 0.0 110.668 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -67.3 -34.5 77.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.799 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 65.5 mmm -61.72 -44.89 96.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.33 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.3 pt -72.81 -27.81 25.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.6 mt -64.83 -42.13 94.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.667 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -59.98 -42.1 93.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.332 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.434 ' CB ' ' HZ2' ' A' ' 28' ' ' LYS . 37.9 t0 -47.06 109.06 0.97 Allowed Pre-proline 0 N--CA 1.45 -0.437 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.319 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -47.46 -34.26 19.14 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.767 2.311 . . . . 0.0 112.225 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -61.51 -32.81 72.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.696 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -60.16 -43.0 96.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.5 t -59.23 -44.42 92.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.453 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.78 -36.15 83.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.555 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.0 tt -61.73 -42.18 98.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.584 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.92 87.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.518 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 55' ' ' LEU . 98.9 mttt -62.96 -42.06 99.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.586 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 54' ' ' LYS . 2.1 tp 51.05 102.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.631 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.0 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.563 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.845 0.355 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.19 18.74 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.592 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.15 -35.4 80.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.586 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -63.28 -41.22 98.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.532 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.68 91.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.478 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.61 -41.33 98.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.662 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -64.31 -27.75 69.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.595 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.3 -42.17 77.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.564 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -63.71 -41.35 98.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.6 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.77 -41.7 99.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.651 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -63.61 -40.38 96.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.597 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.15 -41.87 99.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.549 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 28' ' ' LYS . 91.3 mt -63.07 -42.8 99.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.524 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.41 -42.2 96.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.606 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -66.27 -38.8 88.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.499 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 25' ' ' LEU . 68.8 mttm -91.35 146.64 23.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.599 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -78.96 144.01 35.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.543 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.3 t -137.63 70.71 52.01 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.279 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -49.18 139.29 27.54 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.563 2.175 . . . . 0.0 112.23 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.3 p -61.61 -32.99 73.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.513 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 34' ' ' ALA . 92.6 m-20 -61.92 -40.32 95.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.56 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 33' ' ' ASN . . . -58.3 -148.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.633 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.5 p -158.38 161.47 37.56 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 121.227 0.537 . . . . 0.0 109.911 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -59.36 -39.12 82.23 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.423 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.88 -44.62 96.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.471 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -67.45 -40.85 85.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.578 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.61 91.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.519 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.4 mmm -64.04 -40.21 95.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.503 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.92 -33.67 76.1 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.97 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 91.1 mtp -61.96 -44.39 96.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.437 -179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.5 pt -73.13 -27.05 23.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.836 0.351 . . . . 0.0 110.874 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.7 mt -64.17 -41.91 93.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.79 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -60.71 -41.59 95.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.064 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -47.02 109.52 1.07 Allowed Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.237 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -47.82 -34.21 21.28 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 122.344 2.029 . . . . 0.0 112.478 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -62.85 -33.68 75.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.728 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -60.71 -44.59 96.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.622 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.9 m -58.73 -43.31 90.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.483 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.28 -36.57 84.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.504 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 tt -62.2 -42.83 99.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.563 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.49 -40.13 95.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.569 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 55' ' ' LEU . 98.6 mttt -63.45 -42.22 98.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.704 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.407 ' O ' ' O ' ' A' ' 54' ' ' LYS . 1.9 tp 41.66 -163.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.781 0.324 . . . . 0.0 110.565 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -99.3 84.1 2.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.534 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.21 -36.62 83.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.619 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.37 -38.98 91.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.499 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.64 -38.59 91.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.582 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.4 -41.55 98.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.655 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -63.85 -39.85 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.637 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.06 -38.47 91.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.656 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.77 -45.87 92.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.578 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.17 -40.98 99.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -65.28 -37.22 86.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.537 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.31 -42.77 99.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.518 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 28' ' ' LYS . 94.4 mt -62.98 -41.52 99.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.485 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.04 -39.93 96.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.518 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -61.59 -38.29 87.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.576 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 25' ' ' LEU . 99.3 mttt -96.74 146.52 24.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.582 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -64.24 -40.67 96.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.589 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.3 t 41.13 70.67 1.52 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -48.48 138.57 24.15 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.678 2.252 . . . . 0.0 112.252 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.6 p -75.9 162.66 27.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.487 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.2 m120 55.7 34.53 23.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.592 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.01 -95.82 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.639 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.9 t -167.71 123.82 1.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.542 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -62.39 -38.33 89.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.596 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -59.18 -45.66 90.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.578 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -67.14 -41.19 86.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.566 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.2 91.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.634 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.9 mtp -64.03 -40.43 96.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.145 0.497 . . . . 0.0 110.615 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -67.22 -33.84 76.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 89.6 mtp -62.64 -44.67 95.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.172 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.4 pt -72.99 -27.57 24.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.9 mt -64.54 -42.52 95.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.601 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -62.5 -40.25 96.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.435 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.69 128.5 13.94 Favored Pre-proline 0 N--CA 1.444 -0.761 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.736 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_exo -47.74 -28.91 10.23 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.775 2.317 . . . . 0.0 112.191 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -58.55 -31.8 68.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.615 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -58.73 -46.47 87.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.475 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 62.8 m -60.11 -42.82 95.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.583 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.47 84.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.567 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.37 -41.54 98.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.648 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.59 -39.09 93.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.559 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 56' ' ' SER . 99.1 mttt -84.88 -12.9 52.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mt 45.37 17.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.605 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 54' ' ' LYS . 57.3 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.564 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 pttp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.821 0.343 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.97 -36.61 83.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.575 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.82 -39.4 93.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.604 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.05 -38.7 92.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.78 -40.77 97.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.542 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -62.73 -38.44 90.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.59 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.85 -39.72 90.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.585 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.573 ' CE2' HD11 ' A' ' 25' ' ' LEU . 87.2 t80 -61.44 -46.77 88.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.618 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.82 -42.81 97.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.68 -36.6 82.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.571 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.471 HD11 ' HE3' ' A' ' 28' ' ' LYS . 57.4 tp -62.22 -43.56 98.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.51 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.573 HD11 ' CE2' ' A' ' 21' ' ' PHE . 93.8 mt -63.46 -42.21 98.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.474 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.33 -40.71 96.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.603 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -64.12 -38.62 91.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.595 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.471 ' HE3' HD11 ' A' ' 24' ' ' LEU . 99.1 mttt -95.01 147.78 23.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.622 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -76.37 145.05 39.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.552 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.596 ' O ' HG12 ' A' ' 30' ' ' VAL . 70.9 t -136.13 72.11 60.65 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -48.48 140.1 21.89 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.668 2.245 . . . . 0.0 112.228 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.0 p -61.68 -32.15 72.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.46 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.433 ' O ' ' O ' ' A' ' 34' ' ' ALA . 92.7 m-20 -61.63 -40.21 94.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.481 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 33' ' ' ASN . . . -58.06 -150.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.593 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.3 p -158.44 161.0 37.43 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.011 0.434 . . . . 0.0 110.347 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.583 ' NE1' ' SD ' ' A' ' 40' ' ' MET . 76.3 t-105 -57.36 -41.24 79.76 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.409 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.85 -45.18 93.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.479 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -67.15 -40.76 86.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.593 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.32 89.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.537 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.583 ' SD ' ' NE1' ' A' ' 36' ' ' TRP . 91.0 mtp -65.26 -39.54 92.77 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.546 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.551 ' HA ' HD12 ' A' ' 44' ' ' ILE . 98.5 mttt -66.89 -31.52 72.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 91.0 mtp -62.49 -44.67 95.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.235 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.455 ' HA ' ' HZ2' ' A' ' 28' ' ' LYS . 30.6 pt -73.08 -29.99 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.083 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 41' ' ' LYS . 63.8 mt -64.4 -42.49 95.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -60.84 -40.52 93.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.392 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.54 127.5 18.06 Favored Pre-proline 0 N--CA 1.444 -0.735 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.731 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -47.52 -30.32 11.77 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 122.767 2.312 . . . . 0.0 112.238 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -58.06 -29.79 65.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.598 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -58.57 -45.44 89.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.525 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.1 p -60.03 -41.47 92.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.577 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.6 -37.65 87.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.584 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.73 -41.92 99.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.644 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.44 -41.99 96.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.661 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 56' ' ' SER . 98.7 mttt -64.38 -43.49 94.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.671 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 tp 39.99 23.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.654 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 54' ' ' LYS . 2.2 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.597 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.5 mttp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.837 0.351 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -66.04 -38.28 87.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.552 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.65 -39.49 91.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.567 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.44 91.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.5 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.96 -42.47 99.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.52 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -63.6 -38.48 91.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.573 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.07 -39.13 91.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.516 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.533 ' CE2' HD11 ' A' ' 25' ' ' LEU . 87.1 t80 -61.0 -46.66 89.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.595 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.18 -45.33 92.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.587 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.14 -34.75 78.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.515 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.509 HD11 ' HE3' ' A' ' 28' ' ' LYS . 44.7 tp -62.09 -41.81 98.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.472 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.533 HD11 ' CE2' ' A' ' 21' ' ' PHE . 92.8 mt -62.34 -41.43 98.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.538 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.5 -41.25 98.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.629 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.23 -38.19 89.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.552 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.641 ' NZ ' HG22 ' A' ' 43' ' ' ILE . 99.2 mttt -88.58 147.16 24.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.659 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -63.2 -41.73 99.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.579 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.595 ' O ' HG12 ' A' ' 30' ' ' VAL . 72.3 t 40.59 73.8 0.81 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.342 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -48.79 141.88 20.18 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.631 2.221 . . . . 0.0 112.202 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.0 p -62.83 -22.51 66.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.489 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -62.71 -41.57 99.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.345 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.02 143.34 49.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.623 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.1 p -94.97 -168.92 1.89 Allowed 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.277 0.561 . . . . 0.0 110.205 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -63.71 -43.3 96.95 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.615 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -63.24 -43.74 97.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.476 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -68.77 -41.07 79.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.604 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.24 -39.11 91.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.601 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 84.1 mmm -63.82 -40.97 97.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.709 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.528 ' HA ' HD12 ' A' ' 44' ' ' ILE . 98.5 mttt -66.98 -36.51 82.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 56.1 mtt -61.59 -44.65 96.62 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.279 -178.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.641 HG22 ' NZ ' ' A' ' 28' ' ' LYS . 37.0 pt -72.88 -28.0 26.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 41' ' ' LYS . 24.0 mt -64.84 -42.62 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.755 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -61.71 -40.74 96.11 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.986 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.58 127.66 32.89 Favored Pre-proline 0 N--CA 1.443 -0.824 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.679 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -47.74 -30.05 12.2 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.51 2.14 . . . . 0.0 112.247 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -58.12 -23.77 56.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.559 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -59.13 -46.68 87.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.523 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.6 t -60.59 -44.95 95.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.37 . . . . 0.0 110.691 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.24 86.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.519 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.5 tp -62.62 -41.72 99.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.515 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.19 -36.55 82.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.498 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.24 -40.06 94.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.724 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER 70.09 -62.87 0.42 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.653 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.366 -179.901 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 mttm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.723 0.297 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.14 -37.01 84.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.585 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.4 -39.13 91.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.631 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.88 95.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.575 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.95 -41.03 97.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.583 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -64.23 -31.19 72.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.485 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.05 -46.51 82.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.54 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.465 ' CZ ' HD13 ' A' ' 52' ' ' LEU . 89.8 m-85 -62.8 -44.76 95.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.657 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.29 -45.27 92.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.63 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -67.1 -34.68 78.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.54 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.427 HD11 ' HE3' ' A' ' 28' ' ' LYS . 52.6 tp -61.89 -41.98 98.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.425 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.28 -41.35 98.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.57 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.46 -41.36 98.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.586 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.84 -39.19 93.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.581 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HE3' HD11 ' A' ' 24' ' ' LEU . 98.9 mttt -79.49 150.01 31.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.621 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -63.1 -40.63 98.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.567 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.582 ' O ' HG12 ' A' ' 30' ' ' VAL . 74.7 t 46.36 74.89 0.73 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.311 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -49.09 147.04 11.49 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.642 2.228 . . . . 0.0 112.274 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.7 m -57.57 -35.27 70.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.486 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -61.81 -40.64 95.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.423 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.7 145.15 55.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.466 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.4 ' O ' ' CB ' ' A' ' 39' ' ' ALA . 84.3 p -127.55 -148.09 0.37 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.921 0.391 . . . . 0.0 110.376 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -64.18 -46.28 84.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.656 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.56 -48.46 79.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.605 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -69.24 -41.11 77.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.589 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 35' ' ' SER . . . -64.12 -37.99 89.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.589 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 53.2 ttp -62.68 -41.45 99.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.14 0.495 . . . . 0.0 110.481 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.98 -36.12 81.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.957 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 91.2 mtp -61.87 -44.57 96.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.568 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.0 pt -72.43 -32.45 42.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.97 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.6 mt -65.23 -42.31 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.792 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -61.53 -40.31 94.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.099 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.4 126.87 47.76 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.74 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -47.73 -29.61 11.37 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.473 2.115 . . . . 0.0 112.419 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.17 -23.48 55.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.617 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -58.6 -44.89 90.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.517 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 64.1 m -58.98 -42.17 89.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.519 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.41 90.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.54 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.465 HD13 ' CZ ' ' A' ' 21' ' ' PHE . 83.1 mt -63.01 -42.23 99.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.667 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.62 96.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.604 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 56' ' ' SER . 98.8 mttt -64.62 -44.04 91.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.707 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 tp 39.53 24.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.605 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 54' ' ' LYS . 1.3 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.515 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mttp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.758 0.313 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.05 -36.45 83.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.592 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.14 -39.14 92.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.589 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.67 91.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.566 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.3 -40.45 97.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -62.5 -30.76 71.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.548 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.51 -46.34 83.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.517 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -62.37 -44.56 96.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.674 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.4 -40.52 97.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.67 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -62.18 -43.63 98.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.543 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.06 -42.08 99.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.659 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.7 mt -64.41 -38.77 92.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.661 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 27' ' ' GLU . 88.8 tttt -59.0 -44.51 91.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.609 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 26' ' ' LYS . 97.4 mt-10 -40.86 162.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.562 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.29 -39.85 94.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.654 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.517 ' C ' HG23 ' A' ' 30' ' ' VAL . 85.3 mtp180 -63.11 153.29 34.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.401 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.517 HG23 ' C ' ' A' ' 29' ' ' ARG . 2.2 t 68.85 67.21 0.49 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.391 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -48.96 137.49 28.19 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.551 2.167 . . . . 0.0 112.111 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.4 p -70.07 -17.2 63.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.674 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -94.3 6.21 49.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.636 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.74 -109.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.638 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.1 t -155.9 130.39 8.95 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.999 0.428 . . . . 0.0 110.271 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -58.41 -38.48 77.47 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.49 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -61.73 -47.2 86.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.615 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -69.39 -40.14 77.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.725 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.14 -41.25 87.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.634 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.3 mtp -64.19 -41.16 97.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.038 0.447 . . . . 0.0 110.565 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -67.27 -36.51 81.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.995 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 90.2 mtp -61.73 -44.78 96.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.264 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.6 pt -72.05 -30.31 35.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.92 0.39 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.4 mt -64.76 -42.0 93.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.743 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -60.8 -41.54 95.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.137 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -46.72 109.57 1.06 Allowed Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.211 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -47.63 -33.99 19.6 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.457 2.105 . . . . 0.0 112.45 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 90.4 mtm-85 -61.6 -33.02 73.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.608 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -60.24 -42.54 95.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.597 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.4 m -57.54 -42.76 83.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.494 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.43 -36.38 83.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.467 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.8 tt -62.12 -42.33 99.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.566 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.54 91.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.512 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 56' ' ' SER . 98.8 mttt -63.27 -42.24 99.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.542 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 tp 41.16 23.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.63 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 54' ' ' LYS . 7.8 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.591 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.766 0.317 . . . . 0.0 110.545 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.68 -37.17 85.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.506 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -65.47 -38.61 90.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.501 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.53 -37.89 89.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.572 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.2 -40.98 99.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.541 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -62.97 -40.12 96.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.559 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.1 89.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.512 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.766 ' CE2' HD11 ' A' ' 25' ' ' LEU . 87.3 t80 -60.46 -46.35 90.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.585 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.51 -41.97 98.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.645 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.88 -38.25 88.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.569 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.54 -41.84 99.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.555 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.766 HD11 ' CE2' ' A' ' 21' ' ' PHE . 93.1 mt -62.9 -42.14 99.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.623 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.75 -42.38 97.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.658 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -66.68 -38.17 86.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.6 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.465 ' HZ3' ' HA ' ' A' ' 43' ' ' ILE . 99.3 mttt -91.47 152.16 20.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.671 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -73.04 143.68 47.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.489 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.603 ' O ' HG12 ' A' ' 30' ' ' VAL . 80.4 t -144.11 70.79 16.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.341 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -49.01 138.39 27.44 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.634 2.223 . . . . 0.0 112.207 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.6 p -61.72 -32.94 73.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.502 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.447 ' O ' ' O ' ' A' ' 34' ' ' ALA . 92.5 m-20 -61.65 -40.13 93.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.527 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.447 ' O ' ' O ' ' A' ' 33' ' ' ASN . . . -57.12 -153.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.676 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.1 p -157.19 164.71 37.48 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.211 0.529 . . . . 0.0 109.975 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -57.03 -39.63 75.17 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.453 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -61.55 -44.94 96.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.404 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -69.58 -39.23 77.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.425 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.81 -38.59 88.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.527 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.9 mtp -65.29 -40.04 93.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.56 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -67.29 -31.46 71.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.878 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.7 mmm -62.05 -44.48 96.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.964 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.465 ' HA ' ' HZ3' ' A' ' 28' ' ' LYS . 32.6 pt -73.5 -26.59 22.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.84 0.352 . . . . 0.0 110.686 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.55 -42.69 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.69 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -62.95 -41.54 99.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.178 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.47 106.45 0.41 Allowed Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.304 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -47.92 -34.7 23.08 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 C-N-CA 122.495 2.13 . . . . 0.0 112.295 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -66.09 -15.88 63.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.605 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -56.82 -39.9 75.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.418 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.3 p -56.98 -26.57 60.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.444 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.05 -35.7 81.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.447 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.16 -42.31 99.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.637 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.73 -39.08 93.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.588 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 56' ' ' SER . 98.8 mttt -63.47 -42.29 98.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.623 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 tp 41.39 22.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.6 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 54' ' ' LYS . 36.1 t . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.619 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.839 0.352 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.23 -38.61 88.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.592 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.7 -43.15 94.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.66 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.29 -37.99 88.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.849 ' HZ3' ' HZ1' ' A' ' 22' ' ' LYS . 65.9 tttm -62.96 -43.21 99.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.721 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -64.37 -27.73 69.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.566 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.58 83.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.553 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.466 ' CE2' HD11 ' A' ' 25' ' ' LEU . 87.5 t80 -60.71 -46.44 90.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.563 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.849 ' HZ1' ' HZ3' ' A' ' 18' ' ' LYS . 63.7 mttp -63.53 -41.02 98.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.612 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -64.13 -36.93 85.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.517 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.43 -43.15 99.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.472 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.466 HD11 ' CE2' ' A' ' 21' ' ' PHE . 94.5 mt -63.19 -41.77 99.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.55 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.21 -39.88 95.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.572 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -61.25 -38.33 86.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.535 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.466 ' NZ ' ' CG ' ' A' ' 46' ' ' ASP . 99.2 mttt -97.17 145.96 25.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.601 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -62.36 -43.31 99.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.434 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.586 ' O ' HG12 ' A' ' 30' ' ' VAL . 76.2 t 48.66 74.28 0.84 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.368 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -48.54 141.97 18.81 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.677 2.251 . . . . 0.0 112.252 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.8 p -64.83 -19.52 65.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.424 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -62.36 -41.07 98.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.718 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.76 143.94 52.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.515 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.8 p -90.99 -171.6 3.05 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.088 0.471 . . . . 0.0 110.474 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -64.65 -41.3 96.21 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.505 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.32 -45.18 92.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.553 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -68.55 -40.3 80.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.58 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.6 -40.36 94.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.587 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.0 mtp -64.53 -40.26 95.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.078 0.466 . . . . 0.0 110.692 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.457 ' HA ' HD12 ' A' ' 44' ' ' ILE . 98.5 mttt -67.34 -34.88 78.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 85.7 mtp -61.25 -44.89 96.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.265 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.8 pt -72.47 -27.85 26.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 41' ' ' LYS . 31.9 mt -64.11 -42.42 95.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.757 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -60.26 -41.73 93.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.377 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.466 ' CG ' ' NZ ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -46.31 108.73 0.87 Allowed Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.379 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.423 ' O ' ' OG ' ' A' ' 50' ' ' SER . 62.7 Cg_exo -47.45 -33.8 18.08 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 122.654 2.236 . . . . 0.0 112.241 -179.578 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.46 -33.19 74.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.704 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -60.29 -44.89 94.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.602 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 47' ' ' PRO . 77.7 p -59.23 -41.14 88.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.42 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.68 -36.04 82.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.01 -43.04 99.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.537 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.24 93.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.543 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -63.14 -43.3 98.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.473 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 tp 42.03 37.26 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.733 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.597 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 mtmm . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.757 0.313 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.86 -37.7 86.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.641 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.76 -38.05 88.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.31 -38.55 91.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.561 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.45 -41.96 98.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.574 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.29 -40.27 95.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.635 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.94 89.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.586 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.669 ' CE2' HD11 ' A' ' 25' ' ' LEU . 89.6 t80 -60.19 -45.7 92.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.54 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.89 -38.28 90.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.442 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -62.77 -39.39 94.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.525 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 24' ' ' LEU . 90.5 mt -62.9 -42.36 99.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.58 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.669 HD11 ' CE2' ' A' ' 21' ' ' PHE . 98.1 mt -63.36 -41.94 98.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.93 -42.72 99.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.465 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -64.79 -40.46 95.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.431 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -83.86 139.68 32.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.533 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.6 -41.02 96.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.688 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.616 ' O ' HG12 ' A' ' 30' ' ' VAL . 71.9 t 40.49 71.14 1.31 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.404 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -48.46 141.26 19.84 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.727 2.285 . . . . 0.0 112.151 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.1 p -64.22 -20.75 66.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.574 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' A' ' 34' ' ' ALA . 94.1 m-20 -62.82 -40.71 98.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.495 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 33' ' ' ASN . . . -59.43 -145.37 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.522 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.6 p -158.87 162.15 36.91 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.826 0.346 . . . . 0.0 110.527 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 49.3 t-105 -58.13 -41.07 82.86 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.474 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.57 -45.4 90.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.508 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -66.54 -41.94 87.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.672 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.8 88.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.536 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 52.9 ttp -64.48 -39.04 93.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.162 0.506 . . . . 0.0 110.416 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.49 ' HA ' HD12 ' A' ' 44' ' ' ILE . 98.6 mttt -68.14 -32.33 72.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.832 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 90.8 mtp -62.34 -44.35 96.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.225 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.4 pt -72.27 -26.76 25.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.199 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 41' ' ' LYS . 30.0 mt -64.29 -42.0 94.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.653 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -60.47 -41.07 93.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.267 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.29 109.29 0.97 Allowed Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.368 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -47.49 -36.52 24.25 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.771 2.314 . . . . 0.0 112.183 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.81 -33.32 74.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.687 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -61.57 -19.45 62.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.546 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.7 t -60.45 -42.62 96.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.578 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.24 -37.83 86.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.568 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.68 -41.67 99.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.748 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.73 94.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.56 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.445 ' C ' ' N ' ' A' ' 56' ' ' SER . 98.8 mttt -63.48 -42.13 98.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.652 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mt 47.18 16.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.613 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 54' ' ' LYS . 92.1 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.544 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.5 mttt . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.734 0.302 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -66.06 -34.88 79.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.63 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.3 -38.14 89.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.507 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.39 87.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.49 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.99 -42.15 99.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.528 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.48 -39.45 93.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.541 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.15 -36.44 83.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.492 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.7 ' CE2' HD11 ' A' ' 25' ' ' LEU . 89.9 t80 -58.98 -46.23 88.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.564 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.3 -41.85 99.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.653 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -66.62 -37.02 83.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.67 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.0 mt -62.49 -41.54 98.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.665 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.7 HD11 ' CE2' ' A' ' 21' ' ' PHE . 94.3 mt -62.8 -42.3 99.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.678 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.81 -43.14 97.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.81 -39.07 84.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.664 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.564 ' HD2' HG22 ' A' ' 43' ' ' ILE . 99.2 mttt -86.93 147.91 25.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.565 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -74.58 146.19 42.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.548 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.599 ' O ' HG12 ' A' ' 30' ' ' VAL . 71.2 t -136.27 73.78 56.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.395 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -48.51 144.38 14.0 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.751 2.3 . . . . 0.0 112.268 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.2 p -60.31 -32.66 71.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.435 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -62.07 -41.1 97.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.525 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.84 144.02 52.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.504 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.5 p -110.17 -155.73 0.57 Allowed 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.605 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -67.5 -42.96 82.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.624 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.84 -45.32 86.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.613 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -69.03 -40.23 78.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.663 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.6 98.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.573 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.2 mtp -65.0 -40.6 95.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.117 0.484 . . . . 0.0 110.668 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.407 ' HA ' HD12 ' A' ' 44' ' ' ILE . 88.5 tttt -67.3 -34.5 77.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.799 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 65.5 mmm -61.72 -44.89 96.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.33 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.564 HG22 ' HD2' ' A' ' 28' ' ' LYS . 35.3 pt -72.81 -27.81 25.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 41' ' ' LYS . 31.6 mt -64.83 -42.13 94.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.667 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -59.98 -42.1 93.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.332 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.427 ' CB ' ' HZ3' ' A' ' 28' ' ' LYS . 37.9 t0 -47.06 109.06 0.97 Allowed Pre-proline 0 N--CA 1.45 -0.437 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.319 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -47.46 -34.26 19.14 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.767 2.311 . . . . 0.0 112.225 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -61.51 -32.81 72.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.696 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -60.16 -43.0 96.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.5 t -59.23 -44.42 92.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.453 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.78 -36.15 83.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.555 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.0 tt -61.73 -42.18 98.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.584 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.92 87.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.518 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 55' ' ' LEU . 98.9 mttt -62.96 -42.06 99.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.586 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 54' ' ' LYS . 2.1 tp 51.05 102.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.631 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.0 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.563 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.869 0.366 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.15 -35.4 80.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.586 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -63.28 -41.22 98.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.532 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.68 91.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.478 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.61 -41.33 98.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.662 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -64.31 -27.75 69.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.595 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.3 -42.17 77.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.564 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -63.71 -41.35 98.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.6 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.77 -41.7 99.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.651 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -63.61 -40.38 96.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.597 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.15 -41.87 99.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.549 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 28' ' ' LYS . 91.3 mt -63.07 -42.8 99.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.524 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.41 -42.2 96.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.606 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -66.27 -38.8 88.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.499 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.496 ' HD2' HG22 ' A' ' 43' ' ' ILE . 68.8 mttm -91.35 146.64 23.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.599 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -78.96 144.01 35.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.543 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.595 ' O ' HG12 ' A' ' 30' ' ' VAL . 79.3 t -137.63 70.71 52.01 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.279 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -49.18 139.29 27.54 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.563 2.175 . . . . 0.0 112.23 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.3 p -61.61 -32.99 73.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.513 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 34' ' ' ALA . 92.6 m-20 -61.92 -40.32 95.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.56 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 33' ' ' ASN . . . -58.3 -148.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.633 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.5 p -158.38 161.47 37.56 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 121.227 0.537 . . . . 0.0 109.911 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -59.36 -39.12 82.23 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.423 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.88 -44.62 96.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.471 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -67.45 -40.85 85.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.578 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.61 91.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.519 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.4 mmm -64.04 -40.21 95.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.503 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.518 ' HA ' HD12 ' A' ' 44' ' ' ILE . 98.7 mttt -66.92 -33.67 76.1 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.97 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 91.1 mtp -61.96 -44.39 96.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.437 -179.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.496 HG22 ' HD2' ' A' ' 28' ' ' LYS . 33.5 pt -73.13 -27.05 23.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.836 0.351 . . . . 0.0 110.874 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' A' ' 41' ' ' LYS . 31.7 mt -64.17 -41.91 93.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.79 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -60.71 -41.59 95.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.064 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -47.02 109.52 1.07 Allowed Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.237 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -47.82 -34.21 21.28 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 122.344 2.029 . . . . 0.0 112.478 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -62.85 -33.68 75.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.728 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -60.71 -44.59 96.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.622 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.9 m -58.73 -43.31 90.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.483 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.28 -36.57 84.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.504 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 tt -62.2 -42.83 99.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.563 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.49 -40.13 95.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.569 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 55' ' ' LEU . 98.6 mttt -63.45 -42.22 98.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.704 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.407 ' O ' ' O ' ' A' ' 54' ' ' LYS . 1.9 tp 41.66 -163.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.812 0.339 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.21 -36.62 83.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.619 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.37 -38.98 91.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.499 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.64 -38.59 91.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.582 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.4 -41.55 98.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.655 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -63.85 -39.85 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.637 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.06 -38.47 91.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.656 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.593 ' CE2' HD11 ' A' ' 25' ' ' LEU . 87.1 t80 -60.77 -45.87 92.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.578 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.17 -40.98 99.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -65.28 -37.22 86.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.537 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.31 -42.77 99.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.518 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.593 HD11 ' CE2' ' A' ' 21' ' ' PHE . 94.4 mt -62.98 -41.52 99.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.485 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.04 -39.93 96.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.518 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -61.59 -38.29 87.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.576 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 25' ' ' LEU . 99.3 mttt -96.74 146.52 24.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.582 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -64.24 -40.67 96.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.589 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.612 ' O ' HG12 ' A' ' 30' ' ' VAL . 76.3 t 41.13 70.67 1.52 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -48.48 138.57 24.15 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.678 2.252 . . . . 0.0 112.252 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.6 p -75.9 162.66 27.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.487 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 55.7 34.53 23.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.592 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.01 -95.82 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.639 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.9 t -167.71 123.82 1.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.542 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -62.39 -38.33 89.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.596 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -59.18 -45.66 90.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.578 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -67.14 -41.19 86.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.566 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.2 91.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.634 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.9 mtp -64.03 -40.43 96.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.145 0.497 . . . . 0.0 110.615 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.55 ' HA ' HD12 ' A' ' 44' ' ' ILE . 65.8 tttm -67.22 -33.84 76.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 89.6 mtp -62.64 -44.67 95.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.172 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.4 pt -72.99 -27.57 24.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 41' ' ' LYS . 27.9 mt -64.54 -42.52 95.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.601 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -62.5 -40.25 96.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.435 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.69 128.5 13.94 Favored Pre-proline 0 N--CA 1.444 -0.761 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.736 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_exo -47.74 -28.91 10.23 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.775 2.317 . . . . 0.0 112.191 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -58.55 -31.8 68.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.615 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -58.73 -46.47 87.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.475 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 62.8 m -60.11 -42.82 95.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.583 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.47 84.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.567 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.37 -41.54 98.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.648 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.59 -39.09 93.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.559 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 56' ' ' SER . 99.1 mttt -84.88 -12.9 52.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mt 45.37 17.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.605 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 54' ' ' LYS . 57.3 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.564 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.478 ' C ' ' H ' ' A' ' 15' ' ' GLU . 82.6 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.792 0.33 . . . . 0.0 110.536 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' N ' ' OG1' ' A' ' 13' ' ' THR . 4.6 pttp -53.42 -8.47 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.583 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' A' ' 13' ' ' THR . 80.6 mm-40 -65.97 -36.61 83.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.575 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.82 -39.4 93.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.604 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.05 -38.7 92.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.78 -40.77 97.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.542 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -62.73 -38.44 90.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.59 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.85 -39.72 90.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.585 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.573 ' CE2' HD11 ' A' ' 25' ' ' LEU . 87.2 t80 -61.44 -46.77 88.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.618 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.82 -42.81 97.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.68 -36.6 82.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.571 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.471 HD11 ' HE3' ' A' ' 28' ' ' LYS . 57.4 tp -62.22 -43.56 98.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.51 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.573 HD11 ' CE2' ' A' ' 21' ' ' PHE . 93.8 mt -63.46 -42.21 98.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.474 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.33 -40.71 96.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.603 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -64.12 -38.62 91.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.595 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.471 ' HE3' HD11 ' A' ' 24' ' ' LEU . 99.1 mttt -95.01 147.78 23.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.622 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -76.37 145.05 39.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.552 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.596 ' O ' HG12 ' A' ' 30' ' ' VAL . 70.9 t -136.13 72.11 60.65 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -48.48 140.1 21.89 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.668 2.245 . . . . 0.0 112.228 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.0 p -61.68 -32.15 72.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.46 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.433 ' O ' ' O ' ' A' ' 34' ' ' ALA . 92.7 m-20 -61.63 -40.21 94.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.481 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 33' ' ' ASN . . . -58.06 -150.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.593 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.3 p -158.44 161.0 37.43 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.011 0.434 . . . . 0.0 110.347 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.583 ' NE1' ' SD ' ' A' ' 40' ' ' MET . 76.3 t-105 -57.36 -41.24 79.76 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.409 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.85 -45.18 93.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.479 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -67.15 -40.76 86.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.593 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.32 89.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.537 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.583 ' SD ' ' NE1' ' A' ' 36' ' ' TRP . 91.0 mtp -65.26 -39.54 92.77 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.546 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.551 ' HA ' HD12 ' A' ' 44' ' ' ILE . 98.5 mttt -66.89 -31.52 72.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 91.0 mtp -62.49 -44.67 95.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.235 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.455 ' HA ' ' HZ2' ' A' ' 28' ' ' LYS . 30.6 pt -73.08 -29.99 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.083 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 41' ' ' LYS . 63.8 mt -64.4 -42.49 95.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -60.84 -40.52 93.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.392 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.54 127.5 18.06 Favored Pre-proline 0 N--CA 1.444 -0.735 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.731 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -47.52 -30.32 11.77 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 122.767 2.312 . . . . 0.0 112.238 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -58.06 -29.79 65.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.598 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -58.57 -45.44 89.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.525 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.1 p -60.03 -41.47 92.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.577 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.6 -37.65 87.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.584 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.73 -41.92 99.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.644 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.44 -41.99 96.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.661 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 56' ' ' SER . 98.7 mttt -64.38 -43.49 94.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.671 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 tp 39.99 23.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.654 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 54' ' ' LYS . 2.2 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.597 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.592 HG22 ' N ' ' A' ' 14' ' ' LYS . 52.8 m . . . . . 0 C--O 1.23 0.03 0 CA-C-O 120.792 0.33 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.592 ' N ' HG22 ' A' ' 13' ' ' THR . 54.5 mttp 51.97 9.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.61 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.483 ' H ' ' C ' ' A' ' 13' ' ' THR . 83.3 tt0 -66.04 -38.28 87.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.552 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.65 -39.49 91.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.567 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.44 91.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.5 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.96 -42.47 99.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.52 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -63.6 -38.48 91.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.573 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.07 -39.13 91.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.516 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.533 ' CE2' HD11 ' A' ' 25' ' ' LEU . 87.1 t80 -61.0 -46.66 89.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.595 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.18 -45.33 92.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.587 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.14 -34.75 78.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.515 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.509 HD11 ' HE3' ' A' ' 28' ' ' LYS . 44.7 tp -62.09 -41.81 98.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.472 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.533 HD11 ' CE2' ' A' ' 21' ' ' PHE . 92.8 mt -62.34 -41.43 98.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.538 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.5 -41.25 98.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.629 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.23 -38.19 89.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.552 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.641 ' NZ ' HG22 ' A' ' 43' ' ' ILE . 99.2 mttt -88.58 147.16 24.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.659 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -63.2 -41.73 99.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.579 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.595 ' O ' HG12 ' A' ' 30' ' ' VAL . 72.3 t 40.59 73.8 0.81 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.342 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -48.79 141.88 20.18 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.631 2.221 . . . . 0.0 112.202 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.0 p -62.83 -22.51 66.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.489 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -62.71 -41.57 99.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.345 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.02 143.34 49.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.623 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.1 p -94.97 -168.92 1.89 Allowed 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.277 0.561 . . . . 0.0 110.205 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -63.71 -43.3 96.95 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.615 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -63.24 -43.74 97.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.476 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -68.77 -41.07 79.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.604 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.24 -39.11 91.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.601 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 84.1 mmm -63.82 -40.97 97.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.709 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.528 ' HA ' HD12 ' A' ' 44' ' ' ILE . 98.5 mttt -66.98 -36.51 82.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 56.1 mtt -61.59 -44.65 96.62 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.279 -178.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.641 HG22 ' NZ ' ' A' ' 28' ' ' LYS . 37.0 pt -72.88 -28.0 26.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 41' ' ' LYS . 24.0 mt -64.84 -42.62 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.755 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -61.71 -40.74 96.11 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.986 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.58 127.66 32.89 Favored Pre-proline 0 N--CA 1.443 -0.824 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.679 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -47.74 -30.05 12.2 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.51 2.14 . . . . 0.0 112.247 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -58.12 -23.77 56.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.559 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -59.13 -46.68 87.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.523 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.6 t -60.59 -44.95 95.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.37 . . . . 0.0 110.691 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.24 86.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.519 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.5 tp -62.62 -41.72 99.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.515 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.19 -36.55 82.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.498 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.24 -40.06 94.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.724 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER 70.09 -62.87 0.42 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.653 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.366 -179.901 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.479 ' C ' ' H ' ' A' ' 15' ' ' GLU . 30.6 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.788 0.328 . . . . 0.0 110.561 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -73.15 16.68 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.523 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' A' ' 13' ' ' THR . 97.3 mt-10 -66.14 -37.01 84.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.585 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.4 -39.13 91.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.631 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.88 95.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.575 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.95 -41.03 97.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.583 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -64.23 -31.19 72.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.485 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.05 -46.51 82.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.54 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.465 ' CZ ' HD13 ' A' ' 52' ' ' LEU . 89.8 m-85 -62.8 -44.76 95.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.657 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.29 -45.27 92.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.63 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -67.1 -34.68 78.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.54 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.427 HD11 ' HE3' ' A' ' 28' ' ' LYS . 52.6 tp -61.89 -41.98 98.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.425 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.28 -41.35 98.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.57 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.46 -41.36 98.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.586 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.84 -39.19 93.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.581 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HE3' HD11 ' A' ' 24' ' ' LEU . 98.9 mttt -79.49 150.01 31.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.621 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -63.1 -40.63 98.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.567 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.582 ' O ' HG12 ' A' ' 30' ' ' VAL . 74.7 t 46.36 74.89 0.73 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.311 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -49.09 147.04 11.49 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.642 2.228 . . . . 0.0 112.274 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.7 m -57.57 -35.27 70.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.486 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -61.81 -40.64 95.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.423 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.7 145.15 55.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.466 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.4 ' O ' ' CB ' ' A' ' 39' ' ' ALA . 84.3 p -127.55 -148.09 0.37 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.921 0.391 . . . . 0.0 110.376 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -64.18 -46.28 84.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.656 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.56 -48.46 79.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.605 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -69.24 -41.11 77.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.589 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 35' ' ' SER . . . -64.12 -37.99 89.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.589 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 53.2 ttp -62.68 -41.45 99.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.14 0.495 . . . . 0.0 110.481 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.98 -36.12 81.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.957 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 91.2 mtp -61.87 -44.57 96.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.568 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.0 pt -72.43 -32.45 42.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.97 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.6 mt -65.23 -42.31 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.792 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -61.53 -40.31 94.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.099 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.4 126.87 47.76 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.74 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -47.73 -29.61 11.37 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.473 2.115 . . . . 0.0 112.419 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.17 -23.48 55.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.617 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -58.6 -44.89 90.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.517 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 64.1 m -58.98 -42.17 89.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.519 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.41 90.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.54 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.465 HD13 ' CZ ' ' A' ' 21' ' ' PHE . 83.1 mt -63.01 -42.23 99.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.667 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.62 96.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.604 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 56' ' ' SER . 98.8 mttt -64.62 -44.04 91.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.707 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 tp 39.53 24.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.605 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 54' ' ' LYS . 1.3 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.515 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.438 ' C ' ' H ' ' A' ' 15' ' ' GLU . 90.9 m . . . . . 0 C--O 1.23 0.032 0 CA-C-O 120.839 0.352 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -75.53 18.12 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.531 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.438 ' H ' ' C ' ' A' ' 13' ' ' THR . 97.3 mt-10 -66.05 -36.45 83.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.592 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.14 -39.14 92.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.589 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.67 91.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.566 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.3 -40.45 97.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -62.5 -30.76 71.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.548 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.51 -46.34 83.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.517 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -62.37 -44.56 96.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.674 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.4 -40.52 97.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.67 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -62.18 -43.63 98.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.543 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.06 -42.08 99.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.659 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.7 mt -64.41 -38.77 92.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.661 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 27' ' ' GLU . 88.8 tttt -59.0 -44.51 91.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.609 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 26' ' ' LYS . 97.4 mt-10 -40.86 162.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.562 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.29 -39.85 94.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.654 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.517 ' C ' HG23 ' A' ' 30' ' ' VAL . 85.3 mtp180 -63.11 153.29 34.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.401 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.517 HG23 ' C ' ' A' ' 29' ' ' ARG . 2.2 t 68.85 67.21 0.49 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.391 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -48.96 137.49 28.19 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.551 2.167 . . . . 0.0 112.111 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.4 p -70.07 -17.2 63.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.674 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -94.3 6.21 49.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.636 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.74 -109.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.638 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.1 t -155.9 130.39 8.95 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.999 0.428 . . . . 0.0 110.271 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -58.41 -38.48 77.47 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.49 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -61.73 -47.2 86.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.615 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -69.39 -40.14 77.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.725 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.14 -41.25 87.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.634 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.3 mtp -64.19 -41.16 97.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.038 0.447 . . . . 0.0 110.565 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -67.27 -36.51 81.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.995 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 90.2 mtp -61.73 -44.78 96.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.264 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.6 pt -72.05 -30.31 35.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.92 0.39 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.4 mt -64.76 -42.0 93.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.743 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -60.8 -41.54 95.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.137 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -46.72 109.57 1.06 Allowed Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.211 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -47.63 -33.99 19.6 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.457 2.105 . . . . 0.0 112.45 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 90.4 mtm-85 -61.6 -33.02 73.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.608 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -60.24 -42.54 95.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.597 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.4 m -57.54 -42.76 83.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.494 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.43 -36.38 83.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.467 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.8 tt -62.12 -42.33 99.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.566 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.54 91.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.512 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 56' ' ' SER . 98.8 mttt -63.27 -42.24 99.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.542 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 tp 41.16 23.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.63 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 54' ' ' LYS . 7.8 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.591 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.482 ' C ' ' H ' ' A' ' 15' ' ' GLU . 17.1 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.768 0.318 . . . . 0.0 110.559 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.98 16.34 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.482 ' H ' ' C ' ' A' ' 13' ' ' THR . 97.4 mt-10 -65.68 -37.17 85.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.506 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -65.47 -38.61 90.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.501 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.53 -37.89 89.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.572 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.2 -40.98 99.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.541 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -62.97 -40.12 96.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.559 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.1 89.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.512 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.766 ' CE2' HD11 ' A' ' 25' ' ' LEU . 87.3 t80 -60.46 -46.35 90.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.585 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.51 -41.97 98.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.645 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.88 -38.25 88.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.569 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.54 -41.84 99.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.555 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.766 HD11 ' CE2' ' A' ' 21' ' ' PHE . 93.1 mt -62.9 -42.14 99.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.623 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.75 -42.38 97.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.658 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -66.68 -38.17 86.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.6 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.465 ' HZ3' ' HA ' ' A' ' 43' ' ' ILE . 99.3 mttt -91.47 152.16 20.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.671 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -73.04 143.68 47.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.489 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.603 ' O ' HG12 ' A' ' 30' ' ' VAL . 80.4 t -144.11 70.79 16.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.341 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -49.01 138.39 27.44 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.634 2.223 . . . . 0.0 112.207 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.6 p -61.72 -32.94 73.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.502 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.447 ' O ' ' O ' ' A' ' 34' ' ' ALA . 92.5 m-20 -61.65 -40.13 93.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.527 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.447 ' O ' ' O ' ' A' ' 33' ' ' ASN . . . -57.12 -153.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.676 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.1 p -157.19 164.71 37.48 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.211 0.529 . . . . 0.0 109.975 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -57.03 -39.63 75.17 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.453 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -61.55 -44.94 96.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.404 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -69.58 -39.23 77.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.425 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.81 -38.59 88.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.527 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.9 mtp -65.29 -40.04 93.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.56 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -67.29 -31.46 71.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.878 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.7 mmm -62.05 -44.48 96.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.964 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.465 ' HA ' ' HZ3' ' A' ' 28' ' ' LYS . 32.6 pt -73.5 -26.59 22.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.84 0.352 . . . . 0.0 110.686 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.55 -42.69 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.69 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -62.95 -41.54 99.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.178 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.47 106.45 0.41 Allowed Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.304 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -47.92 -34.7 23.08 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 C-N-CA 122.495 2.13 . . . . 0.0 112.295 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -66.09 -15.88 63.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.605 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -56.82 -39.9 75.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.418 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.3 p -56.98 -26.57 60.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.444 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.05 -35.7 81.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.447 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.16 -42.31 99.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.637 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.73 -39.08 93.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.588 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 56' ' ' SER . 98.8 mttt -63.47 -42.29 98.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.623 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 tp 41.39 22.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.6 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 54' ' ' LYS . 36.1 t . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.619 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.7 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.735 0.302 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 41.65 35.86 0.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.609 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.23 -38.61 88.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.592 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.7 -43.15 94.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.66 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.29 -37.99 88.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.874 ' HZ3' ' HZ1' ' A' ' 22' ' ' LYS . 65.9 tttm -62.96 -43.21 99.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.721 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -64.37 -27.73 69.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.566 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.58 83.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.553 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.466 ' CE2' HD11 ' A' ' 25' ' ' LEU . 87.5 t80 -60.71 -46.44 90.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.563 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.874 ' HZ1' ' HZ3' ' A' ' 18' ' ' LYS . 63.7 mttp -63.53 -41.02 98.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.612 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -64.13 -36.93 85.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.517 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.43 -43.15 99.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.472 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.466 HD11 ' CE2' ' A' ' 21' ' ' PHE . 94.5 mt -63.19 -41.77 99.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.55 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.21 -39.88 95.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.572 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -61.25 -38.33 86.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.535 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.466 ' NZ ' ' CG ' ' A' ' 46' ' ' ASP . 99.2 mttt -97.17 145.96 25.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.601 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -62.36 -43.31 99.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.434 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.586 ' O ' HG12 ' A' ' 30' ' ' VAL . 76.2 t 48.66 74.28 0.84 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.368 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -48.54 141.97 18.81 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.677 2.251 . . . . 0.0 112.252 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.8 p -64.83 -19.52 65.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.424 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -62.36 -41.07 98.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.718 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.76 143.94 52.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.515 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.8 p -90.99 -171.6 3.05 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.088 0.471 . . . . 0.0 110.474 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -64.65 -41.3 96.21 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.505 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.32 -45.18 92.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.553 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -68.55 -40.3 80.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.58 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.6 -40.36 94.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.587 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.0 mtp -64.53 -40.26 95.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.078 0.466 . . . . 0.0 110.692 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.457 ' HA ' HD12 ' A' ' 44' ' ' ILE . 98.5 mttt -67.34 -34.88 78.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 85.7 mtp -61.25 -44.89 96.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.265 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.8 pt -72.47 -27.85 26.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 41' ' ' LYS . 31.9 mt -64.11 -42.42 95.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.757 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -60.26 -41.73 93.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.377 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.466 ' CG ' ' NZ ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -46.31 108.73 0.87 Allowed Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.379 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.423 ' O ' ' OG ' ' A' ' 50' ' ' SER . 62.7 Cg_exo -47.45 -33.8 18.08 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 122.654 2.236 . . . . 0.0 112.241 -179.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.46 -33.19 74.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.704 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -60.29 -44.89 94.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.602 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 47' ' ' PRO . 77.7 p -59.23 -41.14 88.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.42 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.68 -36.04 82.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.01 -43.04 99.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.537 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.24 93.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.543 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -63.14 -43.3 98.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.473 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 tp 42.03 37.26 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.733 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.597 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.473 ' C ' ' H ' ' A' ' 15' ' ' GLU . 13.1 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.821 0.343 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 mtmm -75.38 30.4 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.566 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.473 ' H ' ' C ' ' A' ' 13' ' ' THR . 97.3 mt-10 -65.86 -37.7 86.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.641 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.76 -38.05 88.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.31 -38.55 91.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.561 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.45 -41.96 98.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.574 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.29 -40.27 95.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.635 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.94 89.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.586 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.669 ' CE2' HD11 ' A' ' 25' ' ' LEU . 89.6 t80 -60.19 -45.7 92.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.54 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.89 -38.28 90.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.442 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -62.77 -39.39 94.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.525 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 24' ' ' LEU . 90.5 mt -62.9 -42.36 99.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.58 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.669 HD11 ' CE2' ' A' ' 21' ' ' PHE . 98.1 mt -63.36 -41.94 98.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.93 -42.72 99.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.465 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -64.79 -40.46 95.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.431 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -83.86 139.68 32.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.533 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.6 -41.02 96.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.688 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.616 ' O ' HG12 ' A' ' 30' ' ' VAL . 71.9 t 40.49 71.14 1.31 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.404 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -48.46 141.26 19.84 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.727 2.285 . . . . 0.0 112.151 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.1 p -64.22 -20.75 66.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.574 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' A' ' 34' ' ' ALA . 94.1 m-20 -62.82 -40.71 98.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.495 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 33' ' ' ASN . . . -59.43 -145.37 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.522 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.6 p -158.87 162.15 36.91 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.826 0.346 . . . . 0.0 110.527 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 49.3 t-105 -58.13 -41.07 82.86 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.474 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.57 -45.4 90.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.508 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -66.54 -41.94 87.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.672 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.8 88.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.536 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 52.9 ttp -64.48 -39.04 93.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.162 0.506 . . . . 0.0 110.416 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.49 ' HA ' HD12 ' A' ' 44' ' ' ILE . 98.6 mttt -68.14 -32.33 72.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.832 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 90.8 mtp -62.34 -44.35 96.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.225 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.4 pt -72.27 -26.76 25.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.199 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 41' ' ' LYS . 30.0 mt -64.29 -42.0 94.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.653 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -60.47 -41.07 93.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.267 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.29 109.29 0.97 Allowed Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.368 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -47.49 -36.52 24.25 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.771 2.314 . . . . 0.0 112.183 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.81 -33.32 74.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.687 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -61.57 -19.45 62.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.546 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.7 t -60.45 -42.62 96.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.578 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.24 -37.83 86.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.568 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.68 -41.67 99.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.748 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.73 94.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.56 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.445 ' C ' ' N ' ' A' ' 56' ' ' SER . 98.8 mttt -63.48 -42.13 98.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.652 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mt 47.18 16.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.613 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 54' ' ' LYS . 92.1 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.544 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.6 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.825 0.345 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.5 mttt 58.96 52.67 6.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.608 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -66.06 -34.88 79.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.63 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.3 -38.14 89.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.507 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.39 87.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.49 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.99 -42.15 99.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.528 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.48 -39.45 93.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.541 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.15 -36.44 83.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.492 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.7 ' CE2' HD11 ' A' ' 25' ' ' LEU . 89.9 t80 -58.98 -46.23 88.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.564 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.3 -41.85 99.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.653 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -66.62 -37.02 83.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.67 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.0 mt -62.49 -41.54 98.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.665 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.7 HD11 ' CE2' ' A' ' 21' ' ' PHE . 94.3 mt -62.8 -42.3 99.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.678 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.81 -43.14 97.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.81 -39.07 84.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.664 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.564 ' HD2' HG22 ' A' ' 43' ' ' ILE . 99.2 mttt -86.93 147.91 25.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.565 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -74.58 146.19 42.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.548 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.599 ' O ' HG12 ' A' ' 30' ' ' VAL . 71.2 t -136.27 73.78 56.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.395 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -48.51 144.38 14.0 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.751 2.3 . . . . 0.0 112.268 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.2 p -60.31 -32.66 71.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.435 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -62.07 -41.1 97.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.525 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.84 144.02 52.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.504 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.5 p -110.17 -155.73 0.57 Allowed 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.605 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -67.5 -42.96 82.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.624 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.84 -45.32 86.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.613 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -69.03 -40.23 78.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.663 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.6 98.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.573 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.2 mtp -65.0 -40.6 95.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.117 0.484 . . . . 0.0 110.668 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.407 ' HA ' HD12 ' A' ' 44' ' ' ILE . 88.5 tttt -67.3 -34.5 77.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.799 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 65.5 mmm -61.72 -44.89 96.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.33 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.564 HG22 ' HD2' ' A' ' 28' ' ' LYS . 35.3 pt -72.81 -27.81 25.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 41' ' ' LYS . 31.6 mt -64.83 -42.13 94.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.667 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -59.98 -42.1 93.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.332 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.427 ' CB ' ' HZ3' ' A' ' 28' ' ' LYS . 37.9 t0 -47.06 109.06 0.97 Allowed Pre-proline 0 N--CA 1.45 -0.437 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.319 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -47.46 -34.26 19.14 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.767 2.311 . . . . 0.0 112.225 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -61.51 -32.81 72.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.696 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -60.16 -43.0 96.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.5 t -59.23 -44.42 92.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.453 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.78 -36.15 83.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.555 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.0 tt -61.73 -42.18 98.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.584 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.92 87.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.518 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 55' ' ' LEU . 98.9 mttt -62.96 -42.06 99.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.586 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 54' ' ' LYS . 2.1 tp 51.05 102.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.631 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.0 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.563 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.845 0.355 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.19 18.74 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.592 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.15 -35.4 80.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.586 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -63.28 -41.22 98.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.532 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.68 91.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.478 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.61 -41.33 98.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.662 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -64.31 -27.75 69.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.595 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.3 -42.17 77.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.564 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -63.71 -41.35 98.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.6 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.77 -41.7 99.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.651 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -63.61 -40.38 96.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.597 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.15 -41.87 99.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.549 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 28' ' ' LYS . 91.3 mt -63.07 -42.8 99.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.524 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.41 -42.2 96.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.606 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -66.27 -38.8 88.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.499 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.496 ' HD2' HG22 ' A' ' 43' ' ' ILE . 68.8 mttm -91.35 146.64 23.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.599 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -78.96 144.01 35.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.543 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.595 ' O ' HG12 ' A' ' 30' ' ' VAL . 79.3 t -137.63 70.71 52.01 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.279 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -49.18 139.29 27.54 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.563 2.175 . . . . 0.0 112.23 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.3 p -61.61 -32.99 73.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.513 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 34' ' ' ALA . 92.6 m-20 -61.92 -40.32 95.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.56 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 33' ' ' ASN . . . -58.3 -148.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.633 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.5 p -158.38 161.47 37.56 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 121.227 0.537 . . . . 0.0 109.911 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -59.36 -39.12 82.23 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.423 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.88 -44.62 96.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.471 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -67.45 -40.85 85.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.578 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.61 91.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.519 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.4 mmm -64.04 -40.21 95.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.503 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.518 ' HA ' HD12 ' A' ' 44' ' ' ILE . 98.7 mttt -66.92 -33.67 76.1 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.97 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 91.1 mtp -61.96 -44.39 96.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.437 -179.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.496 HG22 ' HD2' ' A' ' 28' ' ' LYS . 33.5 pt -73.13 -27.05 23.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.836 0.351 . . . . 0.0 110.874 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' A' ' 41' ' ' LYS . 31.7 mt -64.17 -41.91 93.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.79 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -60.71 -41.59 95.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.064 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -47.02 109.52 1.07 Allowed Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.237 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -47.82 -34.21 21.28 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 122.344 2.029 . . . . 0.0 112.478 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -62.85 -33.68 75.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.728 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -60.71 -44.59 96.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.622 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.9 m -58.73 -43.31 90.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.483 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.28 -36.57 84.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.504 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 tt -62.2 -42.83 99.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.563 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.49 -40.13 95.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.569 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 55' ' ' LEU . 98.6 mttt -63.45 -42.22 98.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.704 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.407 ' O ' ' O ' ' A' ' 54' ' ' LYS . 1.9 tp 41.66 -163.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.781 0.324 . . . . 0.0 110.565 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -99.3 84.1 2.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.534 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.21 -36.62 83.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.619 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.37 -38.98 91.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.499 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.64 -38.59 91.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.582 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.4 -41.55 98.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.655 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -63.85 -39.85 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.637 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.06 -38.47 91.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.656 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.593 ' CE2' HD11 ' A' ' 25' ' ' LEU . 87.1 t80 -60.77 -45.87 92.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.578 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.17 -40.98 99.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -65.28 -37.22 86.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.537 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.31 -42.77 99.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.518 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.593 HD11 ' CE2' ' A' ' 21' ' ' PHE . 94.4 mt -62.98 -41.52 99.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.485 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.04 -39.93 96.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.518 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -61.59 -38.29 87.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.576 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 25' ' ' LEU . 99.3 mttt -96.74 146.52 24.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.582 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -64.24 -40.67 96.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.589 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.612 ' O ' HG12 ' A' ' 30' ' ' VAL . 76.3 t 41.13 70.67 1.52 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -48.48 138.57 24.15 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.678 2.252 . . . . 0.0 112.252 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.6 p -75.9 162.66 27.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.487 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 55.7 34.53 23.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.592 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.01 -95.82 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.639 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.9 t -167.71 123.82 1.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.542 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -62.39 -38.33 89.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.596 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -59.18 -45.66 90.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.578 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -67.14 -41.19 86.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.566 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.2 91.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.634 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.9 mtp -64.03 -40.43 96.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.145 0.497 . . . . 0.0 110.615 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.55 ' HA ' HD12 ' A' ' 44' ' ' ILE . 65.8 tttm -67.22 -33.84 76.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 89.6 mtp -62.64 -44.67 95.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.172 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.4 pt -72.99 -27.57 24.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 41' ' ' LYS . 27.9 mt -64.54 -42.52 95.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.601 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -62.5 -40.25 96.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.435 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.69 128.5 13.94 Favored Pre-proline 0 N--CA 1.444 -0.761 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.736 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_exo -47.74 -28.91 10.23 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.775 2.317 . . . . 0.0 112.191 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -58.55 -31.8 68.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.615 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -58.73 -46.47 87.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.475 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 62.8 m -60.11 -42.82 95.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.583 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.47 84.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.567 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.37 -41.54 98.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.648 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.59 -39.09 93.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.559 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 56' ' ' SER . 99.1 mttt -84.88 -12.9 52.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mt 45.37 17.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.605 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 54' ' ' LYS . 57.3 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.564 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 pttp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.821 0.343 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.97 -36.61 83.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.575 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.82 -39.4 93.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.604 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.05 -38.7 92.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.78 -40.77 97.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.542 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -62.73 -38.44 90.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.59 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.85 -39.72 90.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.585 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.573 ' CE2' HD11 ' A' ' 25' ' ' LEU . 87.2 t80 -61.44 -46.77 88.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.618 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.82 -42.81 97.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.68 -36.6 82.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.571 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.471 HD11 ' HE3' ' A' ' 28' ' ' LYS . 57.4 tp -62.22 -43.56 98.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.51 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.573 HD11 ' CE2' ' A' ' 21' ' ' PHE . 93.8 mt -63.46 -42.21 98.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.474 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.33 -40.71 96.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.603 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -64.12 -38.62 91.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.595 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.471 ' HE3' HD11 ' A' ' 24' ' ' LEU . 99.1 mttt -95.01 147.78 23.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.622 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -76.37 145.05 39.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.552 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.596 ' O ' HG12 ' A' ' 30' ' ' VAL . 70.9 t -136.13 72.11 60.65 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -48.48 140.1 21.89 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.668 2.245 . . . . 0.0 112.228 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.0 p -61.68 -32.15 72.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.46 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.433 ' O ' ' O ' ' A' ' 34' ' ' ALA . 92.7 m-20 -61.63 -40.21 94.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.481 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 33' ' ' ASN . . . -58.06 -150.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.593 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.3 p -158.44 161.0 37.43 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.011 0.434 . . . . 0.0 110.347 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.583 ' NE1' ' SD ' ' A' ' 40' ' ' MET . 76.3 t-105 -57.36 -41.24 79.76 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.409 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.85 -45.18 93.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.479 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -67.15 -40.76 86.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.593 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.32 89.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.537 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.583 ' SD ' ' NE1' ' A' ' 36' ' ' TRP . 91.0 mtp -65.26 -39.54 92.77 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.546 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.551 ' HA ' HD12 ' A' ' 44' ' ' ILE . 98.5 mttt -66.89 -31.52 72.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 91.0 mtp -62.49 -44.67 95.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.235 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.455 ' HA ' ' HZ2' ' A' ' 28' ' ' LYS . 30.6 pt -73.08 -29.99 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.083 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 41' ' ' LYS . 63.8 mt -64.4 -42.49 95.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -60.84 -40.52 93.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.392 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.54 127.5 18.06 Favored Pre-proline 0 N--CA 1.444 -0.735 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.731 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -47.52 -30.32 11.77 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 122.767 2.312 . . . . 0.0 112.238 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -58.06 -29.79 65.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.598 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -58.57 -45.44 89.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.525 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.1 p -60.03 -41.47 92.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.577 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.6 -37.65 87.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.584 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.73 -41.92 99.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.644 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.44 -41.99 96.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.661 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 56' ' ' SER . 98.7 mttt -64.38 -43.49 94.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.671 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 tp 39.99 23.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.654 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 54' ' ' LYS . 2.2 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.597 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.5 mttp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.837 0.351 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -66.04 -38.28 87.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.552 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.65 -39.49 91.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.567 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.44 91.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.5 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.96 -42.47 99.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.52 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -63.6 -38.48 91.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.573 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.07 -39.13 91.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.516 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.533 ' CE2' HD11 ' A' ' 25' ' ' LEU . 87.1 t80 -61.0 -46.66 89.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.595 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.18 -45.33 92.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.587 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.14 -34.75 78.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.515 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.509 HD11 ' HE3' ' A' ' 28' ' ' LYS . 44.7 tp -62.09 -41.81 98.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.472 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.533 HD11 ' CE2' ' A' ' 21' ' ' PHE . 92.8 mt -62.34 -41.43 98.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.538 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.5 -41.25 98.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.629 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.23 -38.19 89.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.552 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.641 ' NZ ' HG22 ' A' ' 43' ' ' ILE . 99.2 mttt -88.58 147.16 24.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.659 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -63.2 -41.73 99.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.579 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.595 ' O ' HG12 ' A' ' 30' ' ' VAL . 72.3 t 40.59 73.8 0.81 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.342 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -48.79 141.88 20.18 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.631 2.221 . . . . 0.0 112.202 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.0 p -62.83 -22.51 66.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.489 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -62.71 -41.57 99.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.345 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.02 143.34 49.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.623 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.1 p -94.97 -168.92 1.89 Allowed 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.277 0.561 . . . . 0.0 110.205 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -63.71 -43.3 96.95 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.615 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -63.24 -43.74 97.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.476 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -68.77 -41.07 79.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.604 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.24 -39.11 91.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.601 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 84.1 mmm -63.82 -40.97 97.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.709 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.528 ' HA ' HD12 ' A' ' 44' ' ' ILE . 98.5 mttt -66.98 -36.51 82.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 56.1 mtt -61.59 -44.65 96.62 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.279 -178.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.641 HG22 ' NZ ' ' A' ' 28' ' ' LYS . 37.0 pt -72.88 -28.0 26.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 41' ' ' LYS . 24.0 mt -64.84 -42.62 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.755 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -61.71 -40.74 96.11 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.986 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.58 127.66 32.89 Favored Pre-proline 0 N--CA 1.443 -0.824 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.679 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -47.74 -30.05 12.2 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.51 2.14 . . . . 0.0 112.247 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -58.12 -23.77 56.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.559 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -59.13 -46.68 87.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.523 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.6 t -60.59 -44.95 95.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.37 . . . . 0.0 110.691 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.24 86.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.519 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.5 tp -62.62 -41.72 99.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.515 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.19 -36.55 82.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.498 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.24 -40.06 94.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.724 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER 70.09 -62.87 0.42 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.653 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.366 -179.901 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 mttm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.723 0.297 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.14 -37.01 84.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.585 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.4 -39.13 91.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.631 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.88 95.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.575 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.95 -41.03 97.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.583 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -64.23 -31.19 72.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.485 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.05 -46.51 82.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.54 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.465 ' CZ ' HD13 ' A' ' 52' ' ' LEU . 89.8 m-85 -62.8 -44.76 95.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.657 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.29 -45.27 92.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.63 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -67.1 -34.68 78.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.54 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.427 HD11 ' HE3' ' A' ' 28' ' ' LYS . 52.6 tp -61.89 -41.98 98.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.425 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.28 -41.35 98.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.57 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.46 -41.36 98.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.586 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.84 -39.19 93.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.581 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HE3' HD11 ' A' ' 24' ' ' LEU . 98.9 mttt -79.49 150.01 31.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.621 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -63.1 -40.63 98.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.567 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.582 ' O ' HG12 ' A' ' 30' ' ' VAL . 74.7 t 46.36 74.89 0.73 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.311 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -49.09 147.04 11.49 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.642 2.228 . . . . 0.0 112.274 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.7 m -57.57 -35.27 70.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.486 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -61.81 -40.64 95.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.423 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.7 145.15 55.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.466 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.4 ' O ' ' CB ' ' A' ' 39' ' ' ALA . 84.3 p -127.55 -148.09 0.37 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.921 0.391 . . . . 0.0 110.376 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -64.18 -46.28 84.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.656 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.56 -48.46 79.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.605 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -69.24 -41.11 77.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.589 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 35' ' ' SER . . . -64.12 -37.99 89.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.589 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 53.2 ttp -62.68 -41.45 99.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.14 0.495 . . . . 0.0 110.481 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.98 -36.12 81.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.957 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 91.2 mtp -61.87 -44.57 96.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.568 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.0 pt -72.43 -32.45 42.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.97 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.6 mt -65.23 -42.31 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.792 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -61.53 -40.31 94.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.099 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.4 126.87 47.76 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.74 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -47.73 -29.61 11.37 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.473 2.115 . . . . 0.0 112.419 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.17 -23.48 55.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.617 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -58.6 -44.89 90.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.517 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 64.1 m -58.98 -42.17 89.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.519 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.41 90.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.54 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.465 HD13 ' CZ ' ' A' ' 21' ' ' PHE . 83.1 mt -63.01 -42.23 99.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.667 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.62 96.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.604 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 56' ' ' SER . 98.8 mttt -64.62 -44.04 91.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.707 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 tp 39.53 24.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.605 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 54' ' ' LYS . 1.3 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.515 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mttp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.758 0.313 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.05 -36.45 83.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.592 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.14 -39.14 92.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.589 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.67 91.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.566 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.3 -40.45 97.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -62.5 -30.76 71.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.548 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.51 -46.34 83.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.517 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -62.37 -44.56 96.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.674 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.4 -40.52 97.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.67 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -62.18 -43.63 98.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.543 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.06 -42.08 99.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.659 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.7 mt -64.41 -38.77 92.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.661 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 27' ' ' GLU . 88.8 tttt -59.0 -44.51 91.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.609 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 26' ' ' LYS . 97.4 mt-10 -40.86 162.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.562 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.29 -39.85 94.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.654 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.517 ' C ' HG23 ' A' ' 30' ' ' VAL . 85.3 mtp180 -63.11 153.29 34.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.401 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.517 HG23 ' C ' ' A' ' 29' ' ' ARG . 2.2 t 68.85 67.21 0.49 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.391 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -48.96 137.49 28.19 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.551 2.167 . . . . 0.0 112.111 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.4 p -70.07 -17.2 63.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.674 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -94.3 6.21 49.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.636 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.74 -109.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.638 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.1 t -155.9 130.39 8.95 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.999 0.428 . . . . 0.0 110.271 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -58.41 -38.48 77.47 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.49 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -61.73 -47.2 86.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.615 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -69.39 -40.14 77.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.725 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.14 -41.25 87.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.634 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.3 mtp -64.19 -41.16 97.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.038 0.447 . . . . 0.0 110.565 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -67.27 -36.51 81.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.995 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 90.2 mtp -61.73 -44.78 96.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.264 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.6 pt -72.05 -30.31 35.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.92 0.39 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.4 mt -64.76 -42.0 93.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.743 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -60.8 -41.54 95.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.137 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -46.72 109.57 1.06 Allowed Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.211 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -47.63 -33.99 19.6 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.457 2.105 . . . . 0.0 112.45 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 90.4 mtm-85 -61.6 -33.02 73.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.608 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -60.24 -42.54 95.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.597 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.4 m -57.54 -42.76 83.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.494 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.43 -36.38 83.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.467 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.8 tt -62.12 -42.33 99.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.566 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.54 91.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.512 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 56' ' ' SER . 98.8 mttt -63.27 -42.24 99.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.542 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 tp 41.16 23.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.63 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 54' ' ' LYS . 7.8 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.591 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.766 0.317 . . . . 0.0 110.545 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.68 -37.17 85.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.506 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -65.47 -38.61 90.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.501 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.53 -37.89 89.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.572 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.2 -40.98 99.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.541 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -62.97 -40.12 96.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.559 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.1 89.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.512 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.766 ' CE2' HD11 ' A' ' 25' ' ' LEU . 87.3 t80 -60.46 -46.35 90.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.585 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.51 -41.97 98.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.645 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.88 -38.25 88.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.569 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.54 -41.84 99.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.555 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.766 HD11 ' CE2' ' A' ' 21' ' ' PHE . 93.1 mt -62.9 -42.14 99.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.623 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.75 -42.38 97.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.658 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -66.68 -38.17 86.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.6 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.465 ' HZ3' ' HA ' ' A' ' 43' ' ' ILE . 99.3 mttt -91.47 152.16 20.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.671 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -73.04 143.68 47.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.489 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.603 ' O ' HG12 ' A' ' 30' ' ' VAL . 80.4 t -144.11 70.79 16.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.341 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -49.01 138.39 27.44 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.634 2.223 . . . . 0.0 112.207 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.6 p -61.72 -32.94 73.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.502 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.447 ' O ' ' O ' ' A' ' 34' ' ' ALA . 92.5 m-20 -61.65 -40.13 93.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.527 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.447 ' O ' ' O ' ' A' ' 33' ' ' ASN . . . -57.12 -153.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.676 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.1 p -157.19 164.71 37.48 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.211 0.529 . . . . 0.0 109.975 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -57.03 -39.63 75.17 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.453 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -61.55 -44.94 96.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.404 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -69.58 -39.23 77.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.425 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.81 -38.59 88.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.527 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.9 mtp -65.29 -40.04 93.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.56 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -67.29 -31.46 71.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.878 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.7 mmm -62.05 -44.48 96.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.964 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.465 ' HA ' ' HZ3' ' A' ' 28' ' ' LYS . 32.6 pt -73.5 -26.59 22.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.84 0.352 . . . . 0.0 110.686 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.55 -42.69 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.69 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -62.95 -41.54 99.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.178 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.47 106.45 0.41 Allowed Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.304 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -47.92 -34.7 23.08 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 C-N-CA 122.495 2.13 . . . . 0.0 112.295 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -66.09 -15.88 63.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.605 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -56.82 -39.9 75.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.418 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.3 p -56.98 -26.57 60.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.444 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.05 -35.7 81.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.447 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.16 -42.31 99.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.637 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.73 -39.08 93.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.588 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 56' ' ' SER . 98.8 mttt -63.47 -42.29 98.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.623 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 tp 41.39 22.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.6 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 54' ' ' LYS . 36.1 t . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.619 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.839 0.352 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.23 -38.61 88.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.592 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.7 -43.15 94.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.66 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.29 -37.99 88.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.849 ' HZ3' ' HZ1' ' A' ' 22' ' ' LYS . 65.9 tttm -62.96 -43.21 99.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.721 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -64.37 -27.73 69.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.566 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.58 83.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.553 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.466 ' CE2' HD11 ' A' ' 25' ' ' LEU . 87.5 t80 -60.71 -46.44 90.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.563 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.849 ' HZ1' ' HZ3' ' A' ' 18' ' ' LYS . 63.7 mttp -63.53 -41.02 98.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.612 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -64.13 -36.93 85.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.517 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.43 -43.15 99.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.472 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.466 HD11 ' CE2' ' A' ' 21' ' ' PHE . 94.5 mt -63.19 -41.77 99.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.55 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.21 -39.88 95.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.572 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -61.25 -38.33 86.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.535 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.466 ' NZ ' ' CG ' ' A' ' 46' ' ' ASP . 99.2 mttt -97.17 145.96 25.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.601 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -62.36 -43.31 99.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.434 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.586 ' O ' HG12 ' A' ' 30' ' ' VAL . 76.2 t 48.66 74.28 0.84 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.368 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -48.54 141.97 18.81 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.677 2.251 . . . . 0.0 112.252 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.8 p -64.83 -19.52 65.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.424 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -62.36 -41.07 98.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.718 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.76 143.94 52.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.515 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.8 p -90.99 -171.6 3.05 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.088 0.471 . . . . 0.0 110.474 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -64.65 -41.3 96.21 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.505 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.32 -45.18 92.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.553 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -68.55 -40.3 80.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.58 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.6 -40.36 94.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.587 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.0 mtp -64.53 -40.26 95.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.078 0.466 . . . . 0.0 110.692 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.457 ' HA ' HD12 ' A' ' 44' ' ' ILE . 98.5 mttt -67.34 -34.88 78.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 85.7 mtp -61.25 -44.89 96.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.265 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.8 pt -72.47 -27.85 26.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 41' ' ' LYS . 31.9 mt -64.11 -42.42 95.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.757 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -60.26 -41.73 93.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.377 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.466 ' CG ' ' NZ ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -46.31 108.73 0.87 Allowed Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.379 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.423 ' O ' ' OG ' ' A' ' 50' ' ' SER . 62.7 Cg_exo -47.45 -33.8 18.08 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 122.654 2.236 . . . . 0.0 112.241 -179.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.46 -33.19 74.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.704 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -60.29 -44.89 94.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.602 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 47' ' ' PRO . 77.7 p -59.23 -41.14 88.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.42 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.68 -36.04 82.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.01 -43.04 99.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.537 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.24 93.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.543 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -63.14 -43.3 98.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.473 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 tp 42.03 37.26 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.733 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.597 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 mtmm . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.757 0.313 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.86 -37.7 86.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.641 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.76 -38.05 88.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.31 -38.55 91.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.561 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.45 -41.96 98.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.574 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.29 -40.27 95.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.635 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.94 89.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.586 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.669 ' CE2' HD11 ' A' ' 25' ' ' LEU . 89.6 t80 -60.19 -45.7 92.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.54 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.89 -38.28 90.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.442 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -62.77 -39.39 94.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.525 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 24' ' ' LEU . 90.5 mt -62.9 -42.36 99.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.58 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.669 HD11 ' CE2' ' A' ' 21' ' ' PHE . 98.1 mt -63.36 -41.94 98.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.93 -42.72 99.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.465 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -64.79 -40.46 95.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.431 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -83.86 139.68 32.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.533 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.6 -41.02 96.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.688 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.616 ' O ' HG12 ' A' ' 30' ' ' VAL . 71.9 t 40.49 71.14 1.31 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.404 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -48.46 141.26 19.84 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.727 2.285 . . . . 0.0 112.151 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.1 p -64.22 -20.75 66.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.574 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' A' ' 34' ' ' ALA . 94.1 m-20 -62.82 -40.71 98.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.495 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 33' ' ' ASN . . . -59.43 -145.37 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.522 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.6 p -158.87 162.15 36.91 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.826 0.346 . . . . 0.0 110.527 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 49.3 t-105 -58.13 -41.07 82.86 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.474 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.57 -45.4 90.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.508 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -66.54 -41.94 87.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.672 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.8 88.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.536 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 52.9 ttp -64.48 -39.04 93.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.162 0.506 . . . . 0.0 110.416 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.49 ' HA ' HD12 ' A' ' 44' ' ' ILE . 98.6 mttt -68.14 -32.33 72.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.832 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 90.8 mtp -62.34 -44.35 96.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.225 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.4 pt -72.27 -26.76 25.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.199 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 41' ' ' LYS . 30.0 mt -64.29 -42.0 94.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.653 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -60.47 -41.07 93.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.267 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.29 109.29 0.97 Allowed Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.368 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -47.49 -36.52 24.25 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.771 2.314 . . . . 0.0 112.183 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.81 -33.32 74.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.687 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -61.57 -19.45 62.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.546 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.7 t -60.45 -42.62 96.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.578 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.24 -37.83 86.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.568 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.68 -41.67 99.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.748 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.73 94.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.56 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.445 ' C ' ' N ' ' A' ' 56' ' ' SER . 98.8 mttt -63.48 -42.13 98.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.652 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mt 47.18 16.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.613 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 54' ' ' LYS . 92.1 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.544 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.5 mttt . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.734 0.302 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -66.06 -34.88 79.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.63 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.3 -38.14 89.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.507 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.39 87.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.49 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.99 -42.15 99.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.528 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.48 -39.45 93.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.541 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.15 -36.44 83.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.492 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.7 ' CE2' HD11 ' A' ' 25' ' ' LEU . 89.9 t80 -58.98 -46.23 88.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.564 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.3 -41.85 99.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.653 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -66.62 -37.02 83.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.67 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.0 mt -62.49 -41.54 98.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.665 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.7 HD11 ' CE2' ' A' ' 21' ' ' PHE . 94.3 mt -62.8 -42.3 99.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.678 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.81 -43.14 97.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.81 -39.07 84.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.664 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.564 ' HD2' HG22 ' A' ' 43' ' ' ILE . 99.2 mttt -86.93 147.91 25.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.565 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -74.58 146.19 42.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.548 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.599 ' O ' HG12 ' A' ' 30' ' ' VAL . 71.2 t -136.27 73.78 56.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.395 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -48.51 144.38 14.0 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.751 2.3 . . . . 0.0 112.268 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.2 p -60.31 -32.66 71.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.435 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -62.07 -41.1 97.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.525 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.84 144.02 52.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.504 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.5 p -110.17 -155.73 0.57 Allowed 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.605 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -67.5 -42.96 82.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.624 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.84 -45.32 86.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.613 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -69.03 -40.23 78.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.663 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.6 98.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.573 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.2 mtp -65.0 -40.6 95.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.117 0.484 . . . . 0.0 110.668 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.407 ' HA ' HD12 ' A' ' 44' ' ' ILE . 88.5 tttt -67.3 -34.5 77.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.799 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 65.5 mmm -61.72 -44.89 96.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.33 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.564 HG22 ' HD2' ' A' ' 28' ' ' LYS . 35.3 pt -72.81 -27.81 25.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 41' ' ' LYS . 31.6 mt -64.83 -42.13 94.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.667 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -59.98 -42.1 93.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.332 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.427 ' CB ' ' HZ3' ' A' ' 28' ' ' LYS . 37.9 t0 -47.06 109.06 0.97 Allowed Pre-proline 0 N--CA 1.45 -0.437 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.319 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -47.46 -34.26 19.14 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.767 2.311 . . . . 0.0 112.225 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -61.51 -32.81 72.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.696 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -60.16 -43.0 96.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.5 t -59.23 -44.42 92.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.453 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.78 -36.15 83.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.555 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.0 tt -61.73 -42.18 98.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.584 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.92 87.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.518 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 55' ' ' LEU . 98.9 mttt -62.96 -42.06 99.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.586 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 54' ' ' LYS . 2.1 tp 51.05 102.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.631 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.0 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.563 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.869 0.366 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.15 -35.4 80.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.586 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -63.28 -41.22 98.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.532 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.68 91.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.478 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.61 -41.33 98.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.662 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -64.31 -27.75 69.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.595 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.3 -42.17 77.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.564 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -63.71 -41.35 98.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.6 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.77 -41.7 99.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.651 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -63.61 -40.38 96.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.597 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.15 -41.87 99.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.549 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 28' ' ' LYS . 91.3 mt -63.07 -42.8 99.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.524 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.41 -42.2 96.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.606 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -66.27 -38.8 88.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.499 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.496 ' HD2' HG22 ' A' ' 43' ' ' ILE . 68.8 mttm -91.35 146.64 23.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.599 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -78.96 144.01 35.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.543 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.595 ' O ' HG12 ' A' ' 30' ' ' VAL . 79.3 t -137.63 70.71 52.01 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.279 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -49.18 139.29 27.54 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.563 2.175 . . . . 0.0 112.23 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.3 p -61.61 -32.99 73.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.513 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 34' ' ' ALA . 92.6 m-20 -61.92 -40.32 95.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.56 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 33' ' ' ASN . . . -58.3 -148.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.633 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.5 p -158.38 161.47 37.56 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 121.227 0.537 . . . . 0.0 109.911 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -59.36 -39.12 82.23 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.423 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.88 -44.62 96.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.471 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -67.45 -40.85 85.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.578 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.61 91.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.519 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.4 mmm -64.04 -40.21 95.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.503 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.518 ' HA ' HD12 ' A' ' 44' ' ' ILE . 98.7 mttt -66.92 -33.67 76.1 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.97 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 91.1 mtp -61.96 -44.39 96.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.437 -179.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.496 HG22 ' HD2' ' A' ' 28' ' ' LYS . 33.5 pt -73.13 -27.05 23.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.836 0.351 . . . . 0.0 110.874 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' A' ' 41' ' ' LYS . 31.7 mt -64.17 -41.91 93.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.79 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -60.71 -41.59 95.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.064 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -47.02 109.52 1.07 Allowed Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.237 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -47.82 -34.21 21.28 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 122.344 2.029 . . . . 0.0 112.478 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -62.85 -33.68 75.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.728 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -60.71 -44.59 96.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.622 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.9 m -58.73 -43.31 90.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.483 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.28 -36.57 84.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.504 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 tt -62.2 -42.83 99.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.563 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.49 -40.13 95.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.569 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 55' ' ' LEU . 98.6 mttt -63.45 -42.22 98.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.704 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.407 ' O ' ' O ' ' A' ' 54' ' ' LYS . 1.9 tp 41.66 -163.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.812 0.339 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.21 -36.62 83.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.619 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.37 -38.98 91.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.499 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.64 -38.59 91.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.582 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.4 -41.55 98.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.655 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -63.85 -39.85 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.637 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.06 -38.47 91.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.656 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.593 ' CE2' HD11 ' A' ' 25' ' ' LEU . 87.1 t80 -60.77 -45.87 92.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.578 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.17 -40.98 99.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -65.28 -37.22 86.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.537 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.31 -42.77 99.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.518 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.593 HD11 ' CE2' ' A' ' 21' ' ' PHE . 94.4 mt -62.98 -41.52 99.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.485 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.04 -39.93 96.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.518 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -61.59 -38.29 87.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.576 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 25' ' ' LEU . 99.3 mttt -96.74 146.52 24.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.582 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -64.24 -40.67 96.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.589 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.612 ' O ' HG12 ' A' ' 30' ' ' VAL . 76.3 t 41.13 70.67 1.52 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -48.48 138.57 24.15 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.678 2.252 . . . . 0.0 112.252 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.6 p -75.9 162.66 27.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.487 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.2 m120 55.7 34.53 23.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.592 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.01 -95.82 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.639 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.9 t -167.71 123.82 1.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.542 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -62.39 -38.33 89.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.596 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -59.18 -45.66 90.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.578 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -67.14 -41.19 86.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.566 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.2 91.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.634 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.9 mtp -64.03 -40.43 96.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.145 0.497 . . . . 0.0 110.615 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.55 ' HA ' HD12 ' A' ' 44' ' ' ILE . 65.8 tttm -67.22 -33.84 76.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 89.6 mtp -62.64 -44.67 95.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.172 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.4 pt -72.99 -27.57 24.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 41' ' ' LYS . 27.9 mt -64.54 -42.52 95.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.601 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -62.5 -40.25 96.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.435 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.69 128.5 13.94 Favored Pre-proline 0 N--CA 1.444 -0.761 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.736 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_exo -47.74 -28.91 10.23 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.775 2.317 . . . . 0.0 112.191 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -58.55 -31.8 68.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.615 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -58.73 -46.47 87.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.475 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 62.8 m -60.11 -42.82 95.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.583 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.47 84.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.567 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.37 -41.54 98.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.648 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.59 -39.09 93.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.559 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 56' ' ' SER . 99.1 mttt -84.88 -12.9 52.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mt 45.37 17.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.605 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 54' ' ' LYS . 57.3 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.564 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.478 ' C ' ' H ' ' A' ' 15' ' ' GLU . 82.6 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.792 0.33 . . . . 0.0 110.536 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' N ' ' OG1' ' A' ' 13' ' ' THR . 4.6 pttp -53.42 -8.47 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.583 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' A' ' 13' ' ' THR . 80.6 mm-40 -65.97 -36.61 83.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.575 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.82 -39.4 93.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.604 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.05 -38.7 92.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.78 -40.77 97.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.542 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -62.73 -38.44 90.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.59 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.85 -39.72 90.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.585 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.573 ' CE2' HD11 ' A' ' 25' ' ' LEU . 87.2 t80 -61.44 -46.77 88.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.618 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.82 -42.81 97.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.68 -36.6 82.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.571 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.471 HD11 ' HE3' ' A' ' 28' ' ' LYS . 57.4 tp -62.22 -43.56 98.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.51 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.573 HD11 ' CE2' ' A' ' 21' ' ' PHE . 93.8 mt -63.46 -42.21 98.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.474 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.33 -40.71 96.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.603 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -64.12 -38.62 91.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.595 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.471 ' HE3' HD11 ' A' ' 24' ' ' LEU . 99.1 mttt -95.01 147.78 23.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.622 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -76.37 145.05 39.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.552 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.596 ' O ' HG12 ' A' ' 30' ' ' VAL . 70.9 t -136.13 72.11 60.65 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -48.48 140.1 21.89 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.668 2.245 . . . . 0.0 112.228 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.0 p -61.68 -32.15 72.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.46 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.433 ' O ' ' O ' ' A' ' 34' ' ' ALA . 92.7 m-20 -61.63 -40.21 94.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.481 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 33' ' ' ASN . . . -58.06 -150.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.593 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.3 p -158.44 161.0 37.43 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.011 0.434 . . . . 0.0 110.347 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.583 ' NE1' ' SD ' ' A' ' 40' ' ' MET . 76.3 t-105 -57.36 -41.24 79.76 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.409 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.85 -45.18 93.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.479 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -67.15 -40.76 86.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.593 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.32 89.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.537 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.583 ' SD ' ' NE1' ' A' ' 36' ' ' TRP . 91.0 mtp -65.26 -39.54 92.77 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.546 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.551 ' HA ' HD12 ' A' ' 44' ' ' ILE . 98.5 mttt -66.89 -31.52 72.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 91.0 mtp -62.49 -44.67 95.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.235 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.455 ' HA ' ' HZ2' ' A' ' 28' ' ' LYS . 30.6 pt -73.08 -29.99 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.083 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 41' ' ' LYS . 63.8 mt -64.4 -42.49 95.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -60.84 -40.52 93.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.392 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.54 127.5 18.06 Favored Pre-proline 0 N--CA 1.444 -0.735 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.731 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -47.52 -30.32 11.77 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 122.767 2.312 . . . . 0.0 112.238 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -58.06 -29.79 65.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.598 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -58.57 -45.44 89.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.525 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.1 p -60.03 -41.47 92.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.577 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.6 -37.65 87.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.584 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.73 -41.92 99.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.644 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.44 -41.99 96.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.661 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 56' ' ' SER . 98.7 mttt -64.38 -43.49 94.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.671 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 tp 39.99 23.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.654 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 54' ' ' LYS . 2.2 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.597 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.592 HG22 ' N ' ' A' ' 14' ' ' LYS . 52.8 m . . . . . 0 C--O 1.23 0.03 0 CA-C-O 120.792 0.33 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.592 ' N ' HG22 ' A' ' 13' ' ' THR . 54.5 mttp 51.97 9.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.61 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.483 ' H ' ' C ' ' A' ' 13' ' ' THR . 83.3 tt0 -66.04 -38.28 87.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.552 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.65 -39.49 91.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.567 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.44 91.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.5 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.96 -42.47 99.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.52 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -63.6 -38.48 91.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.573 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.07 -39.13 91.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.516 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.533 ' CE2' HD11 ' A' ' 25' ' ' LEU . 87.1 t80 -61.0 -46.66 89.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.595 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.18 -45.33 92.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.587 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.14 -34.75 78.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.515 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.509 HD11 ' HE3' ' A' ' 28' ' ' LYS . 44.7 tp -62.09 -41.81 98.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.472 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.533 HD11 ' CE2' ' A' ' 21' ' ' PHE . 92.8 mt -62.34 -41.43 98.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.538 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.5 -41.25 98.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.629 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.23 -38.19 89.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.552 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.641 ' NZ ' HG22 ' A' ' 43' ' ' ILE . 99.2 mttt -88.58 147.16 24.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.659 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -63.2 -41.73 99.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.579 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.595 ' O ' HG12 ' A' ' 30' ' ' VAL . 72.3 t 40.59 73.8 0.81 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.342 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -48.79 141.88 20.18 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.631 2.221 . . . . 0.0 112.202 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.0 p -62.83 -22.51 66.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.489 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -62.71 -41.57 99.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.345 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.02 143.34 49.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.623 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.1 p -94.97 -168.92 1.89 Allowed 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.277 0.561 . . . . 0.0 110.205 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -63.71 -43.3 96.95 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.615 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -63.24 -43.74 97.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.476 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -68.77 -41.07 79.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.604 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.24 -39.11 91.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.601 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 84.1 mmm -63.82 -40.97 97.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.709 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.528 ' HA ' HD12 ' A' ' 44' ' ' ILE . 98.5 mttt -66.98 -36.51 82.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 56.1 mtt -61.59 -44.65 96.62 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.279 -178.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.641 HG22 ' NZ ' ' A' ' 28' ' ' LYS . 37.0 pt -72.88 -28.0 26.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 41' ' ' LYS . 24.0 mt -64.84 -42.62 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.755 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -61.71 -40.74 96.11 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.986 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.58 127.66 32.89 Favored Pre-proline 0 N--CA 1.443 -0.824 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.679 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -47.74 -30.05 12.2 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.51 2.14 . . . . 0.0 112.247 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -58.12 -23.77 56.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.559 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -59.13 -46.68 87.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.523 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.6 t -60.59 -44.95 95.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.37 . . . . 0.0 110.691 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.24 86.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.519 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.5 tp -62.62 -41.72 99.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.515 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.19 -36.55 82.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.498 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.24 -40.06 94.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.724 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER 70.09 -62.87 0.42 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.653 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.366 -179.901 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.479 ' C ' ' H ' ' A' ' 15' ' ' GLU . 30.6 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.788 0.328 . . . . 0.0 110.561 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -73.15 16.68 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.523 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' A' ' 13' ' ' THR . 97.3 mt-10 -66.14 -37.01 84.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.585 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.4 -39.13 91.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.631 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.88 95.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.575 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.95 -41.03 97.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.583 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -64.23 -31.19 72.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.485 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.05 -46.51 82.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.54 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.465 ' CZ ' HD13 ' A' ' 52' ' ' LEU . 89.8 m-85 -62.8 -44.76 95.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.657 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.29 -45.27 92.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.63 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -67.1 -34.68 78.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.54 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.427 HD11 ' HE3' ' A' ' 28' ' ' LYS . 52.6 tp -61.89 -41.98 98.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.425 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.28 -41.35 98.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.57 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.46 -41.36 98.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.586 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.84 -39.19 93.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.581 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HE3' HD11 ' A' ' 24' ' ' LEU . 98.9 mttt -79.49 150.01 31.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.621 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -63.1 -40.63 98.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.567 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.582 ' O ' HG12 ' A' ' 30' ' ' VAL . 74.7 t 46.36 74.89 0.73 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.311 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -49.09 147.04 11.49 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.642 2.228 . . . . 0.0 112.274 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.7 m -57.57 -35.27 70.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.486 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -61.81 -40.64 95.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.423 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.7 145.15 55.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.466 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.4 ' O ' ' CB ' ' A' ' 39' ' ' ALA . 84.3 p -127.55 -148.09 0.37 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.921 0.391 . . . . 0.0 110.376 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -64.18 -46.28 84.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.656 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.56 -48.46 79.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.605 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -69.24 -41.11 77.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.589 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 35' ' ' SER . . . -64.12 -37.99 89.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.589 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 53.2 ttp -62.68 -41.45 99.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.14 0.495 . . . . 0.0 110.481 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.98 -36.12 81.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.957 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 91.2 mtp -61.87 -44.57 96.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.568 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.0 pt -72.43 -32.45 42.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.97 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.6 mt -65.23 -42.31 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.792 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -61.53 -40.31 94.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.099 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.4 126.87 47.76 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.74 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -47.73 -29.61 11.37 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.473 2.115 . . . . 0.0 112.419 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -58.17 -23.48 55.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.617 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -58.6 -44.89 90.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.517 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 64.1 m -58.98 -42.17 89.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.519 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.41 90.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.54 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.465 HD13 ' CZ ' ' A' ' 21' ' ' PHE . 83.1 mt -63.01 -42.23 99.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.667 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.62 96.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.604 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 56' ' ' SER . 98.8 mttt -64.62 -44.04 91.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.707 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 tp 39.53 24.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.605 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 54' ' ' LYS . 1.3 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.515 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.438 ' C ' ' H ' ' A' ' 15' ' ' GLU . 90.9 m . . . . . 0 C--O 1.23 0.032 0 CA-C-O 120.839 0.352 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -75.53 18.12 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.531 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.438 ' H ' ' C ' ' A' ' 13' ' ' THR . 97.3 mt-10 -66.05 -36.45 83.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.592 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.14 -39.14 92.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.589 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.67 91.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.566 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.3 -40.45 97.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -62.5 -30.76 71.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.548 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.51 -46.34 83.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.517 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -62.37 -44.56 96.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.674 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.4 -40.52 97.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.67 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -62.18 -43.63 98.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.543 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.06 -42.08 99.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.659 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.7 mt -64.41 -38.77 92.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.661 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 27' ' ' GLU . 88.8 tttt -59.0 -44.51 91.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.609 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 26' ' ' LYS . 97.4 mt-10 -40.86 162.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.562 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.29 -39.85 94.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.654 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.517 ' C ' HG23 ' A' ' 30' ' ' VAL . 85.3 mtp180 -63.11 153.29 34.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.401 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.517 HG23 ' C ' ' A' ' 29' ' ' ARG . 2.2 t 68.85 67.21 0.49 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.391 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -48.96 137.49 28.19 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.551 2.167 . . . . 0.0 112.111 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.4 p -70.07 -17.2 63.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.674 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -94.3 6.21 49.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.636 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.74 -109.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.638 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.1 t -155.9 130.39 8.95 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.999 0.428 . . . . 0.0 110.271 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -58.41 -38.48 77.47 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.49 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -61.73 -47.2 86.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.615 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -69.39 -40.14 77.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.725 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.14 -41.25 87.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.634 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.3 mtp -64.19 -41.16 97.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.038 0.447 . . . . 0.0 110.565 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -67.27 -36.51 81.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.995 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 90.2 mtp -61.73 -44.78 96.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.264 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.6 pt -72.05 -30.31 35.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.92 0.39 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.4 mt -64.76 -42.0 93.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.743 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -60.8 -41.54 95.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.137 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -46.72 109.57 1.06 Allowed Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.211 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -47.63 -33.99 19.6 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.457 2.105 . . . . 0.0 112.45 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 90.4 mtm-85 -61.6 -33.02 73.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.608 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -60.24 -42.54 95.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.597 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.4 m -57.54 -42.76 83.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.494 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.43 -36.38 83.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.467 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.8 tt -62.12 -42.33 99.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.566 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.54 91.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.512 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 56' ' ' SER . 98.8 mttt -63.27 -42.24 99.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.542 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 tp 41.16 23.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.63 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 54' ' ' LYS . 7.8 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.591 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.482 ' C ' ' H ' ' A' ' 15' ' ' GLU . 17.1 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.768 0.318 . . . . 0.0 110.559 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.98 16.34 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.482 ' H ' ' C ' ' A' ' 13' ' ' THR . 97.4 mt-10 -65.68 -37.17 85.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.506 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -65.47 -38.61 90.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.501 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.53 -37.89 89.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.572 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.2 -40.98 99.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.541 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -62.97 -40.12 96.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.559 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.1 89.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.512 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.766 ' CE2' HD11 ' A' ' 25' ' ' LEU . 87.3 t80 -60.46 -46.35 90.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.585 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.51 -41.97 98.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.645 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.88 -38.25 88.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.569 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.8 mt -62.54 -41.84 99.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.555 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.766 HD11 ' CE2' ' A' ' 21' ' ' PHE . 93.1 mt -62.9 -42.14 99.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.623 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.75 -42.38 97.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.658 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -66.68 -38.17 86.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.6 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.465 ' HZ3' ' HA ' ' A' ' 43' ' ' ILE . 99.3 mttt -91.47 152.16 20.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.671 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -73.04 143.68 47.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.489 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.603 ' O ' HG12 ' A' ' 30' ' ' VAL . 80.4 t -144.11 70.79 16.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.341 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -49.01 138.39 27.44 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.634 2.223 . . . . 0.0 112.207 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.6 p -61.72 -32.94 73.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.502 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.447 ' O ' ' O ' ' A' ' 34' ' ' ALA . 92.5 m-20 -61.65 -40.13 93.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.527 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.447 ' O ' ' O ' ' A' ' 33' ' ' ASN . . . -57.12 -153.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.676 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.1 p -157.19 164.71 37.48 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.211 0.529 . . . . 0.0 109.975 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -57.03 -39.63 75.17 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.453 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -61.55 -44.94 96.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.404 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -69.58 -39.23 77.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.425 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.81 -38.59 88.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.527 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.9 mtp -65.29 -40.04 93.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.56 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -67.29 -31.46 71.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.878 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.7 mmm -62.05 -44.48 96.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.964 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.465 ' HA ' ' HZ3' ' A' ' 28' ' ' LYS . 32.6 pt -73.5 -26.59 22.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.84 0.352 . . . . 0.0 110.686 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.55 -42.69 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.69 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -62.95 -41.54 99.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.178 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.47 106.45 0.41 Allowed Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.304 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -47.92 -34.7 23.08 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 C-N-CA 122.495 2.13 . . . . 0.0 112.295 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -66.09 -15.88 63.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.605 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -56.82 -39.9 75.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.418 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.3 p -56.98 -26.57 60.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.444 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.05 -35.7 81.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.447 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.16 -42.31 99.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.637 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.73 -39.08 93.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.588 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 56' ' ' SER . 98.8 mttt -63.47 -42.29 98.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.623 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 tp 41.39 22.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.6 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 54' ' ' LYS . 36.1 t . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.619 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.7 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.735 0.302 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 41.65 35.86 0.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.609 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.23 -38.61 88.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.592 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.7 -43.15 94.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.66 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.29 -37.99 88.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.874 ' HZ3' ' HZ1' ' A' ' 22' ' ' LYS . 65.9 tttm -62.96 -43.21 99.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.721 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -64.37 -27.73 69.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.566 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.58 83.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.553 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.466 ' CE2' HD11 ' A' ' 25' ' ' LEU . 87.5 t80 -60.71 -46.44 90.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.563 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.874 ' HZ1' ' HZ3' ' A' ' 18' ' ' LYS . 63.7 mttp -63.53 -41.02 98.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.612 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -64.13 -36.93 85.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.517 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.43 -43.15 99.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.472 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.466 HD11 ' CE2' ' A' ' 21' ' ' PHE . 94.5 mt -63.19 -41.77 99.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.55 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.21 -39.88 95.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.572 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -61.25 -38.33 86.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.535 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.466 ' NZ ' ' CG ' ' A' ' 46' ' ' ASP . 99.2 mttt -97.17 145.96 25.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.601 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -62.36 -43.31 99.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.434 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.586 ' O ' HG12 ' A' ' 30' ' ' VAL . 76.2 t 48.66 74.28 0.84 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.368 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -48.54 141.97 18.81 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.677 2.251 . . . . 0.0 112.252 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.8 p -64.83 -19.52 65.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.424 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -62.36 -41.07 98.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.718 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.76 143.94 52.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.515 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.8 p -90.99 -171.6 3.05 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.088 0.471 . . . . 0.0 110.474 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -64.65 -41.3 96.21 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.505 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.32 -45.18 92.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.553 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -68.55 -40.3 80.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.58 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.6 -40.36 94.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.587 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.0 mtp -64.53 -40.26 95.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.078 0.466 . . . . 0.0 110.692 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.457 ' HA ' HD12 ' A' ' 44' ' ' ILE . 98.5 mttt -67.34 -34.88 78.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 85.7 mtp -61.25 -44.89 96.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.265 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.8 pt -72.47 -27.85 26.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 41' ' ' LYS . 31.9 mt -64.11 -42.42 95.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.757 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -60.26 -41.73 93.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.377 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.466 ' CG ' ' NZ ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -46.31 108.73 0.87 Allowed Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.379 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.423 ' O ' ' OG ' ' A' ' 50' ' ' SER . 62.7 Cg_exo -47.45 -33.8 18.08 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 122.654 2.236 . . . . 0.0 112.241 -179.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.46 -33.19 74.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.704 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -60.29 -44.89 94.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.602 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 47' ' ' PRO . 77.7 p -59.23 -41.14 88.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.42 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.68 -36.04 82.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.01 -43.04 99.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.537 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.24 93.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.543 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -63.14 -43.3 98.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.473 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 tp 42.03 37.26 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.733 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.597 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.473 ' C ' ' H ' ' A' ' 15' ' ' GLU . 13.1 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.821 0.343 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 mtmm -75.38 30.4 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.566 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.473 ' H ' ' C ' ' A' ' 13' ' ' THR . 97.3 mt-10 -65.86 -37.7 86.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.641 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.76 -38.05 88.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.31 -38.55 91.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.561 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.45 -41.96 98.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.574 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.29 -40.27 95.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.635 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.87 -37.94 89.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.586 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.669 ' CE2' HD11 ' A' ' 25' ' ' LEU . 89.6 t80 -60.19 -45.7 92.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.54 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.89 -38.28 90.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.442 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -62.77 -39.39 94.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.525 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 24' ' ' LEU . 90.5 mt -62.9 -42.36 99.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.58 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.669 HD11 ' CE2' ' A' ' 21' ' ' PHE . 98.1 mt -63.36 -41.94 98.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.93 -42.72 99.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.465 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -64.79 -40.46 95.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.431 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -83.86 139.68 32.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.533 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.6 -41.02 96.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.688 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.616 ' O ' HG12 ' A' ' 30' ' ' VAL . 71.9 t 40.49 71.14 1.31 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.404 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -48.46 141.26 19.84 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.727 2.285 . . . . 0.0 112.151 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.1 p -64.22 -20.75 66.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.574 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' A' ' 34' ' ' ALA . 94.1 m-20 -62.82 -40.71 98.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.495 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 33' ' ' ASN . . . -59.43 -145.37 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.522 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.6 p -158.87 162.15 36.91 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.826 0.346 . . . . 0.0 110.527 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 49.3 t-105 -58.13 -41.07 82.86 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.474 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.57 -45.4 90.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.508 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -66.54 -41.94 87.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.672 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.8 88.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.536 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 52.9 ttp -64.48 -39.04 93.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.162 0.506 . . . . 0.0 110.416 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.49 ' HA ' HD12 ' A' ' 44' ' ' ILE . 98.6 mttt -68.14 -32.33 72.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.832 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 90.8 mtp -62.34 -44.35 96.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.225 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.4 pt -72.27 -26.76 25.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.199 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 41' ' ' LYS . 30.0 mt -64.29 -42.0 94.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.653 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -60.47 -41.07 93.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.267 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.29 109.29 0.97 Allowed Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.368 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -47.49 -36.52 24.25 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.771 2.314 . . . . 0.0 112.183 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.81 -33.32 74.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.687 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -61.57 -19.45 62.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.546 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.7 t -60.45 -42.62 96.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.578 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.24 -37.83 86.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.568 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.68 -41.67 99.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.748 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.73 94.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.56 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.445 ' C ' ' N ' ' A' ' 56' ' ' SER . 98.8 mttt -63.48 -42.13 98.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.652 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mt 47.18 16.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.613 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 54' ' ' LYS . 92.1 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.544 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.6 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.825 0.345 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.5 mttt 58.96 52.67 6.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.608 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -66.06 -34.88 79.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.63 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.3 -38.14 89.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.507 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.39 87.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.49 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.99 -42.15 99.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.528 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.48 -39.45 93.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.541 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.15 -36.44 83.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.492 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.7 ' CE2' HD11 ' A' ' 25' ' ' LEU . 89.9 t80 -58.98 -46.23 88.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.564 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.3 -41.85 99.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.653 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -66.62 -37.02 83.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.67 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.0 mt -62.49 -41.54 98.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.665 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.7 HD11 ' CE2' ' A' ' 21' ' ' PHE . 94.3 mt -62.8 -42.3 99.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.678 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.81 -43.14 97.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.81 -39.07 84.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.664 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.564 ' HD2' HG22 ' A' ' 43' ' ' ILE . 99.2 mttt -86.93 147.91 25.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.565 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -74.58 146.19 42.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.548 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.599 ' O ' HG12 ' A' ' 30' ' ' VAL . 71.2 t -136.27 73.78 56.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.395 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -48.51 144.38 14.0 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.751 2.3 . . . . 0.0 112.268 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.2 p -60.31 -32.66 71.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.435 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -62.07 -41.1 97.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.525 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.84 144.02 52.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.504 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.5 p -110.17 -155.73 0.57 Allowed 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.605 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -67.5 -42.96 82.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.624 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.84 -45.32 86.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.613 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -69.03 -40.23 78.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.663 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.6 98.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.573 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 91.2 mtp -65.0 -40.6 95.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.117 0.484 . . . . 0.0 110.668 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.407 ' HA ' HD12 ' A' ' 44' ' ' ILE . 88.5 tttt -67.3 -34.5 77.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.799 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 65.5 mmm -61.72 -44.89 96.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.33 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.564 HG22 ' HD2' ' A' ' 28' ' ' LYS . 35.3 pt -72.81 -27.81 25.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 41' ' ' LYS . 31.6 mt -64.83 -42.13 94.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.667 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -59.98 -42.1 93.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.332 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.427 ' CB ' ' HZ3' ' A' ' 28' ' ' LYS . 37.9 t0 -47.06 109.06 0.97 Allowed Pre-proline 0 N--CA 1.45 -0.437 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.319 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -47.46 -34.26 19.14 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.767 2.311 . . . . 0.0 112.225 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -61.51 -32.81 72.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.696 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -60.16 -43.0 96.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.5 t -59.23 -44.42 92.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.453 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.78 -36.15 83.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.555 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.0 tt -61.73 -42.18 98.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.584 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.92 87.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.518 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 55' ' ' LEU . 98.9 mttt -62.96 -42.06 99.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.586 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 54' ' ' LYS . 2.1 tp 51.05 102.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.631 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.0 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.563 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.845 0.355 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.19 18.74 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.592 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.15 -35.4 80.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.586 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -63.28 -41.22 98.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.532 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.68 91.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.478 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.61 -41.33 98.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.662 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -64.31 -27.75 69.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.595 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.3 -42.17 77.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.564 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -63.71 -41.35 98.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.6 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.77 -41.7 99.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.651 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -63.61 -40.38 96.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.597 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.15 -41.87 99.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.549 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 28' ' ' LYS . 91.3 mt -63.07 -42.8 99.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.524 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.41 -42.2 96.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.606 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -66.27 -38.8 88.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.499 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.496 ' HD2' HG22 ' A' ' 43' ' ' ILE . 68.8 mttm -91.35 146.64 23.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.599 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -78.96 144.01 35.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.543 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.595 ' O ' HG12 ' A' ' 30' ' ' VAL . 79.3 t -137.63 70.71 52.01 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.279 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -49.18 139.29 27.54 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.563 2.175 . . . . 0.0 112.23 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.3 p -61.61 -32.99 73.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.513 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 34' ' ' ALA . 92.6 m-20 -61.92 -40.32 95.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.56 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 33' ' ' ASN . . . -58.3 -148.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.633 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.5 p -158.38 161.47 37.56 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 121.227 0.537 . . . . 0.0 109.911 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -59.36 -39.12 82.23 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.423 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.88 -44.62 96.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.471 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -67.45 -40.85 85.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.578 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.61 91.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.519 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.4 mmm -64.04 -40.21 95.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.503 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.518 ' HA ' HD12 ' A' ' 44' ' ' ILE . 98.7 mttt -66.92 -33.67 76.1 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.97 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 91.1 mtp -61.96 -44.39 96.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.437 -179.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.496 HG22 ' HD2' ' A' ' 28' ' ' LYS . 33.5 pt -73.13 -27.05 23.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.836 0.351 . . . . 0.0 110.874 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' A' ' 41' ' ' LYS . 31.7 mt -64.17 -41.91 93.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.79 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -60.71 -41.59 95.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.064 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -47.02 109.52 1.07 Allowed Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.237 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -47.82 -34.21 21.28 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 122.344 2.029 . . . . 0.0 112.478 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -62.85 -33.68 75.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.728 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -60.71 -44.59 96.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.622 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.9 m -58.73 -43.31 90.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.483 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.28 -36.57 84.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.504 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 tt -62.2 -42.83 99.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.563 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.49 -40.13 95.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.569 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 55' ' ' LEU . 98.6 mttt -63.45 -42.22 98.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.704 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.407 ' O ' ' O ' ' A' ' 54' ' ' LYS . 1.9 tp 41.66 -163.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.781 0.324 . . . . 0.0 110.565 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -99.3 84.1 2.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.534 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.21 -36.62 83.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.619 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.37 -38.98 91.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.499 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.64 -38.59 91.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.582 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.4 -41.55 98.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.655 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -63.85 -39.85 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.637 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.06 -38.47 91.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.656 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.593 ' CE2' HD11 ' A' ' 25' ' ' LEU . 87.1 t80 -60.77 -45.87 92.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.578 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.17 -40.98 99.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -65.28 -37.22 86.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.537 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.31 -42.77 99.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.518 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.593 HD11 ' CE2' ' A' ' 21' ' ' PHE . 94.4 mt -62.98 -41.52 99.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.485 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.04 -39.93 96.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.518 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -61.59 -38.29 87.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.576 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 25' ' ' LEU . 99.3 mttt -96.74 146.52 24.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.582 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -64.24 -40.67 96.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.589 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.612 ' O ' HG12 ' A' ' 30' ' ' VAL . 76.3 t 41.13 70.67 1.52 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -48.48 138.57 24.15 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.678 2.252 . . . . 0.0 112.252 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.6 p -75.9 162.66 27.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.487 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.2 m120 55.7 34.53 23.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.592 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.01 -95.82 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.639 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.9 t -167.71 123.82 1.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.542 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -62.39 -38.33 89.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.596 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -59.18 -45.66 90.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.578 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -67.14 -41.19 86.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.566 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.2 91.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.634 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.9 mtp -64.03 -40.43 96.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.145 0.497 . . . . 0.0 110.615 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.55 ' HA ' HD12 ' A' ' 44' ' ' ILE . 65.8 tttm -67.22 -33.84 76.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 89.6 mtp -62.64 -44.67 95.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.172 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.4 pt -72.99 -27.57 24.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 41' ' ' LYS . 27.9 mt -64.54 -42.52 95.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.601 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -62.5 -40.25 96.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.435 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.69 128.5 13.94 Favored Pre-proline 0 N--CA 1.444 -0.761 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.736 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_exo -47.74 -28.91 10.23 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.775 2.317 . . . . 0.0 112.191 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -58.55 -31.8 68.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.615 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -58.73 -46.47 87.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.475 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 62.8 m -60.11 -42.82 95.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.583 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.47 84.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.567 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.37 -41.54 98.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.648 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.59 -39.09 93.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.559 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 56' ' ' SER . 99.1 mttt -84.88 -12.9 52.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mt 45.37 17.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.605 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 54' ' ' LYS . 57.3 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.564 179.968 . . . . . . . . 1 1 . 1 stop_ save_